C673-0179 Screening compound: 1-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-carbonyl}-4-(2,5-dimethylphenyl)piperazine

C673-0179 Screening compound: 1-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-carbonyl}-4-(2,5-dimethylphenyl)piperazine
C673-0179 Screening compound: 1-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-carbonyl}-4-(2,5-dimethylphenyl)piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound C673-0179
1-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-carbonyl}-4-(2,5-dimethylphenyl)piperazine

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

C673-0179

Molecular Formula

C25H26ClN3O (C25 H26 ClN3 O)

Compound Name

1-{9-chloro-1H,2H,3H-cyclopenta[b]quinoline-6-carbonyl}-4-(2,5-dimethylphenyl)piperazine

IUPAC name

1-{9-chloro-1H2H3H-cyclopenta[b]quinoline-6-carbonyl}-4-(25-dimethylphenyl)piperazine

SMILES

Cc1cc(N(CC2)CCN2C(c2ccc3c(Cl)c(CCC4)c4nc3c2)=O)c(C)cc1

InChI

InChI=1S/C25H26ClN3O/c1-16-6-7-17(2)23(14-16)28-10-12-29(13-11-28)25(30)18-8-9-20-22(15-18)27-21-5-3-4-19(21)24(20)26/h6-9,14-15H,3-5,10-13H2,1-2H3

InChI Key

DDHVTQBOXNQKSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780940

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.95

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.713

Distribution Coefficient, logD

5.705

Water Solubility, LogSw

-6.12

Polar Surface Area

29.964

Acid Dissociation Constant (pKa)

16.85

Base Dissociation Constant (pKb)

5.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C673-0179 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C673-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C673-0179?
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What is the minimum amount of C673-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C673-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C673-0179
  • 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 C673-0179 available by request