C289-0414 Screening compound: 5-chloro-3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic acid

C289-0414 Screening compound: 5-chloro-3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic acid
C289-0414 Screening compound: 5-chloro-3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0414
5-chloro-3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic 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

C289-0414

Molecular Formula

C23H24ClN3O3 (C23 H24 ClN3 O3)

Compound Name

5-chloro-3-{2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic acid

IUPAC name

5-chloro-3-{2-[4-(25-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-1H-indole-2-carboxylic acid

SMILES

Cc1cc(N(CC2)CCN2C(Cc2c(C(O)=O)[nH]c(cc3)c2cc3Cl)=O)c(C)cc1

InChI

InChI=1S/C23H24ClN3O3/c1-14-3-4-15(2)20(11-14)26-7-9-27(10-8-26)21(28)13-18-17-12-16(24)5-6-19(17)25-22(18)23(29)30/h3-6,11-12,25H,7-10,13H2,1-2H3,(H,29,30)

InChI Key

AJDDQDLPRHSRDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.91

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.203

Distribution Coefficient, logD

1.649

Water Solubility, LogSw

-4.30

Polar Surface Area

57.846

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C289-0414 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C289-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0414?
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What is the minimum amount of C289-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0414
  • 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 C289-0414 available by request