C795-0127 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide

C795-0127 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide
C795-0127 Screening compound: 1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0127
1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide

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

C795-0127

Molecular Formula

C30H31ClFN3O3S (C30 H31 ClFN3 O3 S)

Compound Name

1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[3,2-b]pyrrole-5-carbonyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide

IUPAC name

1-{4-[(2-chloro-6-fluorophenyl)methyl]-2-methyl-4H-furo[32-b]pyrrole-5-carbonyl}-N-{2-[4-(methylsulfanyl)phenyl]ethyl}piperidine-4-carboxamide

SMILES

Cc1cc(n(Cc(c(F)ccc2)c2Cl)c(C(N(CC2)CCC2C(NCCc(cc2)ccc2SC)=O)=O)c2)c2o1

InChI

InChI=1S/C30H31ClFN3O3S/c1-19-16-26-28(38-19)17-27(35(26)18-23-24(31)4-3-5-25(23)32)30(37)34-14-11-21(12-15-34)29(36)33-13-10-20-6-8-22(39-2)9-7-20/h3-9,16-17,21H,10-15,18H2,1-2H3,(H,33,36)

InChI Key

OALKKLGOXZTBGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

568.11

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.643

Distribution Coefficient, logD

5.643

Water Solubility, LogSw

-5.89

Polar Surface Area

49.582

Acid Dissociation Constant (pKa)

13.94

Base Dissociation Constant (pKb)

0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C795-0127 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PLpro Library (6343 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C795-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0127?
Check Price and Availability of C795-0127, 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 C795-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0127
  • 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 C795-0127 available by request