C562-1497 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-3-phenylpropanamide

C562-1497 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-3-phenylpropanamide
C562-1497 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-3-phenylpropanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C562-1497
N~1~-(3-fluoro-4-methylphenyl)-2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-3-phenylpropanamide

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

C562-1497

Molecular Formula

C24H22FN3O5S (C24 H22 FN3 O5 S)

Compound Name

N~1~-(3-fluoro-4-methylphenyl)-2-{[(3-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-6-yl)sulfonyl]amino}-3-phenylpropanamide

IUPAC name

n/a

SMILES

Cc(ccc(NC(C(Cc1ccccc1)NS(c(cc1)cc(O2)c1N(C)C2=O)(=O)=O)=O)c1)c1F

InChI

InChI=1S/C24H22FN3O5S/c1-15-8-9-17(13-19(15)25)26-23(29)20(12-16-6-4-3-5-7-16)27-34(31,32)18-10-11-21-22(14-18)33-24(30)28(21)2/h3-11,13-14,20,27H,12H2,1-2H3,(H,26,29)/t20-/m0/s1

InChI Key

HIBKACTUMRMVTL-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD14772071

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.110

Distribution Coefficient, logD

4.103

Water Solubility, LogSw

-4.30

Polar Surface Area

87.798

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-0.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

C562-1497 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C562-1497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C562-1497?
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What is the minimum amount of C562-1497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C562-1497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C562-1497
  • 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 C562-1497 available by request