C053-0743 Screening compound: ethyl 7-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxyquinoline-3-carboxylate

C053-0743 Screening compound: ethyl 7-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxyquinoline-3-carboxylate
C053-0743 Screening compound: ethyl 7-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxyquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C053-0743
ethyl 7-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxyquinoline-3-carboxylate

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

C053-0743

Molecular Formula

C23H23Cl2N3O3 (C23 H23 Cl2 N3 O3)

Compound Name

ethyl 7-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxyquinoline-3-carboxylate

IUPAC name

ethyl 7-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methoxyquinoline-3-carboxylate

SMILES

CCOC(c1cnc(cc(c(OC)c2)Cl)c2c1N(CC1)CCN1c1cc(Cl)ccc1)=O

InChI

InChI=1S/C23H23Cl2N3O3/c1-3-31-23(29)18-14-26-20-13-19(25)21(30-2)12-17(20)22(18)28-9-7-27(8-10-28)16-6-4-5-15(24)11-16/h4-6,11-14H,3,7-10H2,1-2H3

InChI Key

PQPTVMBXBCILIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.649

Distribution Coefficient, logD

5.632

Water Solubility, LogSw

-6.05

Polar Surface Area

43.586

Acid Dissociation Constant (pKa)

25.91

Base Dissociation Constant (pKb)

5.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C053-0743 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C053-0743 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C053-0743?
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What is the minimum amount of C053-0743 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C053-0743
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C053-0743
  • 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 C053-0743 available by request