C436-1038 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide

C436-1038 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide
C436-1038 Screening compound: N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C436-1038
N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide

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

C436-1038

Molecular Formula

C17H20ClFN4O3S (C17 H20 ClFN4 O3 S)

Compound Name

N-(3-chloro-4-fluorophenyl)-1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-piperidinecarboxamide

IUPAC name

N-(3-chloro-4-fluorophenyl)-1-[(35-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidine-3-carboxamide

SMILES

Cc([nH]nc1C)c1S(N(CCC1)CC1C(Nc(cc1)cc(Cl)c1F)=O)(=O)=O

InChI

InChI=1S/C17H20ClFN4O3S/c1-10-16(11(2)22-21-10)27(25,26)23-7-3-4-12(9-23)17(24)20-13-5-6-15(19)14(18)8-13/h5-6,8,12H,3-4,7,9H2,1-2H3,(H,20,24)(H,21,22)/t12-/m0/s1

InChI Key

IYLMNOXBOAHYAV-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14757821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.89

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.056

Distribution Coefficient, logD

1.905

Water Solubility, LogSw

-3.07

Polar Surface Area

78.889

Acid Dissociation Constant (pKa)

7.78

Base Dissociation Constant (pKb)

-1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

C436-1038 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 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 C436-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C436-1038?
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What is the minimum amount of C436-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C436-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C436-1038
  • 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 C436-1038 available by request