C673-0356 Screening compound: 2-({6-[(3-chloroanilino)carbonyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl}sulfanyl)acetic acid

C673-0356 Screening compound: 2-({6-[(3-chloroanilino)carbonyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl}sulfanyl)acetic acid
C673-0356 Screening compound: 2-({6-[(3-chloroanilino)carbonyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl}sulfanyl)acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C673-0356
2-({6-[(3-chloroanilino)carbonyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl}sulfanyl)acetic acid

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

C673-0356

Molecular Formula

C21H17ClN2O3S (C21 H17 ClN2 O3 S)

Compound Name

2-({6-[(3-chloroanilino)carbonyl]-2,3-dihydro-1H-cyclopenta[b]quinolin-9-yl}sulfanyl)acetic acid

IUPAC name

2-({6-[(3-chlorophenyl)carbamoyl]-1H2H3H-cyclopenta[b]quinolin-9-yl}sulfanyl)acetic acid

SMILES

OC(CSc1c(ccc(C(Nc2cccc(Cl)c2)=O)c2)c2nc2c1CCC2)=O

InChI

InChI=1S/C21H17ClN2O3S/c22-13-3-1-4-14(10-13)23-21(27)12-7-8-16-18(9-12)24-17-6-2-5-15(17)20(16)28-11-19(25)26/h1,3-4,7-10H,2,5-6,11H2,(H,23,27)(H,25,26)

InChI Key

YWQIGDAOVZJSTP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.375

Distribution Coefficient, logD

0.737

Water Solubility, LogSw

-4.43

Polar Surface Area

61.832

Acid Dissociation Constant (pKa)

3.76

Base Dissociation Constant (pKb)

4.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.05

C673-0356 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C673-0356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C673-0356?
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What is the minimum amount of C673-0356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C673-0356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C673-0356
  • 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 C673-0356 available by request