Y031-1601 Screening compound: ethyl 2-[3-(2-ethylbutanamido)benzamido]-4-methyl-1,3-thiazole-5-carboxylate

Y031-1601 Screening compound: ethyl 2-[3-(2-ethylbutanamido)benzamido]-4-methyl-1,3-thiazole-5-carboxylate
Y031-1601 Screening compound: ethyl 2-[3-(2-ethylbutanamido)benzamido]-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-1601
ethyl 2-[3-(2-ethylbutanamido)benzamido]-4-methyl-1,3-thiazole-5-carboxylate

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

Y031-1601

Molecular Formula

C20H25N3O4S (C20 H25 N3 O4 S)

Compound Name

ethyl 2-[3-(2-ethylbutanamido)benzamido]-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-[3-(2-ethylbutanamido)benzamido]-4-methyl-13-thiazole-5-carboxylate

SMILES

CCC(CC)C(Nc1cccc(C(Nc2nc(C)c(C(OCC)=O)s2)=O)c1)=O

InChI

InChI=1S/C20H25N3O4S/c1-5-13(6-2)17(24)22-15-10-8-9-14(11-15)18(25)23-20-21-12(4)16(28-20)19(26)27-7-3/h8-11,13H,5-7H2,1-4H3,(H,22,24)(H,21,23,25)

InChI Key

ROVVXUKLNOBJLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07066792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.360

Distribution Coefficient, logD

3.627

Water Solubility, LogSw

-4.27

Polar Surface Area

78.069

Acid Dissociation Constant (pKa)

6.76

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

Y031-1601 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-1601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-1601?
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What is the minimum amount of Y031-1601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-1601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-1601
  • 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 Y031-1601 available by request