F602-1994 Screening compound: propan-2-yl 2,4-dimethyl-5-(3-{[2-methyl-1-(thiophen-2-yl)propyl]carbamoyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate

F602-1994 Screening compound: propan-2-yl 2,4-dimethyl-5-(3-{[2-methyl-1-(thiophen-2-yl)propyl]carbamoyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate
F602-1994 Screening compound: propan-2-yl 2,4-dimethyl-5-(3-{[2-methyl-1-(thiophen-2-yl)propyl]carbamoyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound F602-1994
propan-2-yl 2,4-dimethyl-5-(3-{[2-methyl-1-(thiophen-2-yl)propyl]carbamoyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

F602-1994

Molecular Formula

C25H35N3O4S (C25 H35 N3 O4 S)

Compound Name

propan-2-yl 2,4-dimethyl-5-(3-{[2-methyl-1-(thiophen-2-yl)propyl]carbamoyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate

IUPAC name

propan-2-yl 24-dimethyl-5-(3-{[2-methyl-1-(thiophen-2-yl)propyl]carbamoyl}piperidine-1-carbonyl)-1H-pyrrole-3-carboxylate

SMILES

CC(C)C(c1cccs1)NC(C(CCC1)CN1C(c1c(C)c(C(OC(C)C)=O)c(C)[nH]1)=O)=O

InChI

InChI=1S/C25H35N3O4S/c1-14(2)21(19-10-8-12-33-19)27-23(29)18-9-7-11-28(13-18)24(30)22-16(5)20(17(6)26-22)25(31)32-15(3)4/h8,10,12,14-15,18,21,26H,7,9,11,13H2,1-6H3,(H,27,29)

InChI Key

NXWLBPPZTKAKES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27178958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.621

Distribution Coefficient, logD

3.621

Water Solubility, LogSw

-3.84

Polar Surface Area

73.018

Acid Dissociation Constant (pKa)

5.30

Base Dissociation Constant (pKb)

-0.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.00

F602-1994 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Autophagy-Targeted Library (4564 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with F602-1994 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F602-1994?
Check Price and Availability of F602-1994, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of F602-1994 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F602-1994
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F602-1994
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of F602-1994 available by request