Y040-3147 Screening compound: 4-chloro-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide

Y040-3147 Screening compound: 4-chloro-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
Y040-3147 Screening compound: 4-chloro-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-3147
4-chloro-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide

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

Y040-3147

Molecular Formula

C20H16ClN3O2S (C20 H16 ClN3 O2 S)

Compound Name

4-chloro-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide

IUPAC name

4-chloro-N-[4-(5-methoxy-2-methyl-1H-indol-3-yl)-13-thiazol-2-yl]benzamide

SMILES

Cc1c(-c2csc(NC(c(cc3)ccc3Cl)=O)n2)c(cc(cc2)OC)c2[nH]1

InChI

InChI=1S/C20H16ClN3O2S/c1-11-18(15-9-14(26-2)7-8-16(15)22-11)17-10-27-20(23-17)24-19(25)12-3-5-13(21)6-4-12/h3-10,22H,1-2H3,(H,23,24,25)

InChI Key

ACHJRECAJDCSCY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09849276

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.88

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.380

Distribution Coefficient, logD

5.377

Water Solubility, LogSw

-6.35

Polar Surface Area

50.574

Acid Dissociation Constant (pKa)

9.59

Base Dissociation Constant (pKb)

0.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

Y040-3147 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y040-3147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-3147?
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What is the minimum amount of Y040-3147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-3147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-3147
  • 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 Y040-3147 available by request