L491-0052 Screening compound: methyl 4-({[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoyl}amino)benzoate

L491-0052 Screening compound: methyl 4-({[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoyl}amino)benzoate
L491-0052 Screening compound: methyl 4-({[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L491-0052
methyl 4-({[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoyl}amino)benzoate

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

L491-0052

Molecular Formula

C23H18ClN3O3 (C23 H18 ClN3 O3)

Compound Name

methyl 4-({[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoyl}amino)benzoate

IUPAC name

methyl 4-({[2-(4-chlorophenyl)-1H-indol-3-yl]carbamoyl}amino)benzoate

SMILES

COC(c(cc1)ccc1NC(Nc1c(-c(cc2)ccc2Cl)[nH]c2c1cccc2)=O)=O

InChI

InChI=1S/C23H18ClN3O3/c1-30-22(28)15-8-12-17(13-9-15)25-23(29)27-21-18-4-2-3-5-19(18)26-20(21)14-6-10-16(24)11-7-14/h2-13,26H,1H3,(H2,25,27,29)

InChI Key

GSKXJFGDJCLEDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27457836

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.532

Distribution Coefficient, logD

5.532

Water Solubility, LogSw

-6.21

Polar Surface Area

62.168

Acid Dissociation Constant (pKa)

12.52

Base Dissociation Constant (pKb)

-0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

L491-0052 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Library (67538 compounds)

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L491-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L491-0052?
Check Price and Availability of L491-0052, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L491-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L491-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L491-0052
  • 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 L491-0052 available by request