C274-8491 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide

C274-8491 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide
C274-8491 Screening compound: 1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C274-8491
1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-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

C274-8491

Molecular Formula

C19H19ClN4O5S (C19 H19 ClN4 O5 S)

Compound Name

1-(2,1,3-benzoxadiazole-4-sulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide

IUPAC name

1-(213-benzoxadiazole-4-sulfonyl)-N-(3-chloro-4-methoxyphenyl)piperidine-3-carboxamide

SMILES

COc(ccc(NC(C(CCC1)CN1S(c1cccc2nonc12)(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C19H19ClN4O5S/c1-28-16-8-7-13(10-14(16)20)21-19(25)12-4-3-9-24(11-12)30(26,27)17-6-2-5-15-18(17)23-29-22-15/h2,5-8,10,12H,3-4,9,11H2,1H3,(H,21,25)/t12-/m0/s1

InChI Key

JCRDPNAXWVJJMN-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14740535

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.9

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.116

Distribution Coefficient, logD

3.110

Water Solubility, LogSw

-3.61

Polar Surface Area

98.694

Acid Dissociation Constant (pKa)

9.25

Base Dissociation Constant (pKb)

-0.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

C274-8491 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 C274-8491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C274-8491?
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What is the minimum amount of C274-8491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C274-8491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C274-8491
  • 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 C274-8491 available by request