C289-0366 Screening compound: 5-chloro-3-{[(3-methylphenyl)(propyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid

C289-0366 Screening compound: 5-chloro-3-{[(3-methylphenyl)(propyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid
C289-0366 Screening compound: 5-chloro-3-{[(3-methylphenyl)(propyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C289-0366
5-chloro-3-{[(3-methylphenyl)(propyl)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

C289-0366

Molecular Formula

C21H21ClN2O3 (C21 H21 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C(Cc1c(C(O)=O)[nH]c(cc2)c1cc2Cl)=O)c1cc(C)ccc1

InChI

InChI=1S/C21H21ClN2O3/c1-3-9-24(15-6-4-5-13(2)10-15)19(25)12-17-16-11-14(22)7-8-18(16)23-20(17)21(26)27/h4-8,10-11,23H,3,9,12H2,1-2H3,(H,26,27)

InChI Key

KBFAWRBDZLWLAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.86

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.771

Distribution Coefficient, logD

2.216

Water Solubility, LogSw

-4.51

Polar Surface Area

53.840

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with C289-0366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C289-0366?
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What is the minimum amount of C289-0366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C289-0366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C289-0366
  • 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 C289-0366 available by request