C197-0381 Screening compound: 3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid

C197-0381 Screening compound: 3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid
C197-0381 Screening compound: 3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C197-0381
3-[2-(4-bromo-2-methylanilino)-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

C197-0381

Molecular Formula

C18H15BrN2O3 (C18 H15 BrN2 O3)

Compound Name

3-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1H-indole-2-carboxylic acid

IUPAC name

n/a

SMILES

Cc(cc(cc1)Br)c1NC(Cc1c(C(O)=O)[nH]c2c1cccc2)=O

InChI

InChI=1S/C18H15BrN2O3/c1-10-8-11(19)6-7-14(10)20-16(22)9-13-12-4-2-3-5-15(12)21-17(13)18(23)24/h2-8,21H,9H2,1H3,(H,20,22)(H,23,24)

InChI Key

KXOBLEQCBBKODD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14725338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.057

Distribution Coefficient, logD

0.503

Water Solubility, LogSw

-3.21

Polar Surface Area

60.946

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

-1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

References: we are preparing a list of scientific research reports with C197-0381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C197-0381?
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What is the minimum amount of C197-0381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C197-0381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C197-0381
  • 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 C197-0381 available by request