Y040-9670 Screening compound: ethyl 2-{2-[4-(1H-pyrrol-1-yl)benzamido]-1,3-thiazol-4-yl}acetate

Y040-9670 Screening compound: ethyl 2-{2-[4-(1H-pyrrol-1-yl)benzamido]-1,3-thiazol-4-yl}acetate
Y040-9670 Screening compound: ethyl 2-{2-[4-(1H-pyrrol-1-yl)benzamido]-1,3-thiazol-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9670
ethyl 2-{2-[4-(1H-pyrrol-1-yl)benzamido]-1,3-thiazol-4-yl}acetate

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

Y040-9670

Molecular Formula

C18H17N3O3S (C18 H17 N3 O3 S)

Compound Name

ethyl 2-{2-[4-(1H-pyrrol-1-yl)benzamido]-1,3-thiazol-4-yl}acetate

IUPAC name

ethyl 2-{2-[4-(1H-pyrrol-1-yl)benzamido]-13-thiazol-4-yl}acetate

SMILES

CCOC(Cc1csc(NC(c(cc2)ccc2-n2cccc2)=O)n1)=O

InChI

InChI=1S/C18H17N3O3S/c1-2-24-16(22)11-14-12-25-18(19-14)20-17(23)13-5-7-15(8-6-13)21-9-3-4-10-21/h3-10,12H,2,11H2,1H3,(H,19,20,23)

InChI Key

HGVNGJADIMFFHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09348134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.739

Distribution Coefficient, logD

3.637

Water Solubility, LogSw

-3.97

Polar Surface Area

58.016

Acid Dissociation Constant (pKa)

7.97

Base Dissociation Constant (pKb)

-1.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y040-9670 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with Y040-9670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9670?
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What is the minimum amount of Y040-9670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9670
  • 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 Y040-9670 available by request