Y040-8872 Screening compound: N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide

Y040-8872 Screening compound: N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide
Y040-8872 Screening compound: N-[4-(5-methoxy-1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8872
N-[4-(5-methoxy-1,2-dimethyl-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

Y040-8872

Molecular Formula

C21H19N3O2S (C21 H19 N3 O2 S)

Compound Name

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

IUPAC name

N-[4-(5-methoxy-12-dimethyl-1H-indol-3-yl)-13-thiazol-2-yl]benzamide

SMILES

Cc1c(-c2csc(NC(c3ccccc3)=O)n2)c(cc(cc2)OC)c2n1C

InChI

InChI=1S/C21H19N3O2S/c1-13-19(16-11-15(26-3)9-10-18(16)24(13)2)17-12-27-21(22-17)23-20(25)14-7-5-4-6-8-14/h4-12H,1-3H3,(H,22,23,25)

InChI Key

FBYZEJHXNXSCHE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08750554

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.623

Distribution Coefficient, logD

4.623

Water Solubility, LogSw

-4.58

Polar Surface Area

42.930

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

0.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

Y040-8872 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

BRD4 Targeted Library (4534 compounds)

Immunological Library (6760 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • Others
  • Ion Channels

References: we are preparing a list of scientific research reports with Y040-8872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8872?
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What is the minimum amount of Y040-8872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8872
  • 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 Y040-8872 available by request