C673-0053 Screening compound: methyl 2-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-amido}benzoate

C673-0053 Screening compound: methyl 2-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-amido}benzoate
C673-0053 Screening compound: methyl 2-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-amido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C673-0053
methyl 2-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-amido}benzoate

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

C673-0053

Molecular Formula

C21H17ClN2O3 (C21 H17 ClN2 O3)

Compound Name

methyl 2-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-amido}benzoate

IUPAC name

methyl 2-{9-chloro-1H2H3H-cyclopenta[b]quinoline-6-amido}benzoate

SMILES

COC(c(cccc1)c1NC(c1ccc2c(Cl)c(CCC3)c3nc2c1)=O)=O

InChI

InChI=1S/C21H17ClN2O3/c1-27-21(26)15-5-2-3-7-17(15)24-20(25)12-9-10-14-18(11-12)23-16-8-4-6-13(16)19(14)22/h2-3,5,7,9-11H,4,6,8H2,1H3,(H,24,25)

InChI Key

XLKRGPHAAKMWQJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780861

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.846

Distribution Coefficient, logD

4.452

Water Solubility, LogSw

-5.01

Polar Surface Area

53.924

Acid Dissociation Constant (pKa)

7.23

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C673-0053 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C673-0053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C673-0053?
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What is the minimum amount of C673-0053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C673-0053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C673-0053
  • 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 C673-0053 available by request