C066-2430 Screening compound: 5-chloro-3-{[(2-methoxyphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid

C066-2430 Screening compound: 5-chloro-3-{[(2-methoxyphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid
C066-2430 Screening compound: 5-chloro-3-{[(2-methoxyphenyl)carbamoyl]methyl}-1H-indole-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C066-2430
5-chloro-3-{[(2-methoxyphenyl)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

C066-2430

Molecular Formula

C18H15ClN2O4 (C18 H15 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C18H15ClN2O4/c1-25-15-5-3-2-4-14(15)20-16(22)9-12-11-8-10(19)6-7-13(11)21-17(12)18(23)24/h2-8,21H,9H2,1H3,(H,20,22)(H,23,24)

InChI Key

JLDSBZQCYROEBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14715347

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.837

Distribution Coefficient, logD

0.283

Water Solubility, LogSw

-3.20

Polar Surface Area

68.577

Acid Dissociation Constant (pKa)

4.85

Base Dissociation Constant (pKb)

0.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C066-2430 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 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 C066-2430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C066-2430?
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What is the minimum amount of C066-2430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C066-2430
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C066-2430
  • 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 C066-2430 available by request