C436-0885 Screening compound: 1,3-dimethyl 5-{1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-amido}benzene-1,3-dicarboxylate

C436-0885 Screening compound: 1,3-dimethyl 5-{1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-amido}benzene-1,3-dicarboxylate
C436-0885 Screening compound: 1,3-dimethyl 5-{1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-amido}benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-0885
1,3-dimethyl 5-{1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-amido}benzene-1,3-dicarboxylate

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

C436-0885

Molecular Formula

C21H26N4O7S (C21 H26 N4 O7 S)

Compound Name

1,3-dimethyl 5-{1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-amido}benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-{1-[(35-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-amido}benzene-13-dicarboxylate

SMILES

Cc([nH]nc1C)c1S(N(CCC1)CC1C(Nc1cc(C(OC)=O)cc(C(OC)=O)c1)=O)(=O)=O

InChI

InChI=1S/C21H26N4O7S/c1-12-18(13(2)24-23-12)33(29,30)25-7-5-6-14(11-25)19(26)22-17-9-15(20(27)31-3)8-16(10-17)21(28)32-4/h8-10,14H,5-7,11H2,1-4H3,(H,22,26)(H,23,24)/t14-/m0/s1

InChI Key

KMKATZSSYWDSTR-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD14757797

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.53

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.815

Distribution Coefficient, logD

1.815

Water Solubility, LogSw

-2.57

Polar Surface Area

121.237

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C436-0885 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C436-0885 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-0885?
Check Price and Availability of C436-0885, 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 C436-0885 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-0885
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-0885
  • 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 C436-0885 available by request