C673-0357 Screening compound: 2-[(6-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H,2H,3H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid

C673-0357 Screening compound: 2-[(6-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H,2H,3H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid
C673-0357 Screening compound: 2-[(6-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H,2H,3H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C673-0357
2-[(6-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H,2H,3H-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

C673-0357

Molecular Formula

C22H17F3N2O3S (C22 H17 F3 N2 O3 S)

Compound Name

2-[(6-{[3-(trifluoromethyl)phenyl]carbamoyl}-1H,2H,3H-cyclopenta[b]quinolin-9-yl)sulfanyl]acetic acid

IUPAC name

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

SMILES

OC(CSc1c(CCC2)c2nc2cc(C(Nc3cc(C(F)(F)F)ccc3)=O)ccc12)=O

InChI

InChI=1S/C22H17F3N2O3S/c23-22(24,25)13-3-1-4-14(10-13)26-21(30)12-7-8-16-18(9-12)27-17-6-2-5-15(17)20(16)31-11-19(28)29/h1,3-4,7-10H,2,5-6,11H2,(H,26,30)(H,28,29)

InChI Key

NDTGECRBHJCCRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.665

Distribution Coefficient, logD

1.027

Water Solubility, LogSw

-4.67

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

22.70

C673-0357 in Drug Discovery

Included in Screening Libraries

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

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C673-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C673-0357?
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What is the minimum amount of C673-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C673-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C673-0357
  • 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 C673-0357 available by request