C289-0470 Screening compound: 5-chloro-3-{[(2-ethylphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid

C289-0470 Screening compound: 5-chloro-3-{[(2-ethylphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid
C289-0470 Screening compound: 5-chloro-3-{[(2-ethylphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0470
5-chloro-3-{[(2-ethylphenyl)carbamoyl]methyl}-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

C289-0470

Molecular Formula

C19H17ClN2O3 (C19 H17 ClN2 O3)

Compound Name

5-chloro-3-{[(2-ethylphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid

IUPAC name

5-chloro-3-{[(2-ethylphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid

SMILES

CCc(cccc1)c1NC(Cc1c(C(O)=O)[nH]c(cc2)c1cc2Cl)=O

InChI

InChI=1S/C19H17ClN2O3/c1-2-11-5-3-4-6-15(11)21-17(23)10-14-13-9-12(20)7-8-16(13)22-18(14)19(24)25/h3-9,22H,2,10H2,1H3,(H,21,23)(H,24,25)

InChI Key

NNCDXHHZQXBSPI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.81

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.584

Distribution Coefficient, logD

1.029

Water Solubility, LogSw

-3.63

Polar Surface Area

60.946

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.80

C289-0470 in Drug Discovery

Included in Screening Libraries

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 C289-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0470?
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What is the minimum amount of C289-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0470
  • 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 C289-0470 available by request