Y010-0993 Screening compound: methyl 2-[5-amino-8-(benzylcarbamoyl)-6-cyano-7-(2-fluorophenyl)-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate

Y010-0993 Screening compound: methyl 2-[5-amino-8-(benzylcarbamoyl)-6-cyano-7-(2-fluorophenyl)-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
Y010-0993 Screening compound: methyl 2-[5-amino-8-(benzylcarbamoyl)-6-cyano-7-(2-fluorophenyl)-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0993
methyl 2-[5-amino-8-(benzylcarbamoyl)-6-cyano-7-(2-fluorophenyl)-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridin-2-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

Y010-0993

Molecular Formula

C25H21FN4O4S (C25 H21 FN4 O4 S)

Compound Name

methyl 2-[5-amino-8-(benzylcarbamoyl)-6-cyano-7-(2-fluorophenyl)-3-oxo-2H,3H,7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate

IUPAC name

methyl 2-[5-amino-8-(benzylcarbamoyl)-6-cyano-7-(2-fluorophenyl)-3-oxo-2H3H7H-[13]thiazolo[32-a]pyridin-2-yl]acetate

SMILES

COC(CC(C(N1C(N)=C(C2c(cccc3)c3F)C#N)=O)SC1=C2C(NCc1ccccc1)=O)=O

InChI

InChI=1S/C25H21FN4O4S/c1-34-19(31)11-18-24(33)30-22(28)16(12-27)20(15-9-5-6-10-17(15)26)21(25(30)35-18)23(32)29-13-14-7-3-2-4-8-14/h2-10,18,20H,11,13,28H2,1H3,(H,29,32)

InChI Key

QLJDPSOGTCPMHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06242240

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.426

Distribution Coefficient, logD

2.426

Water Solubility, LogSw

-2.89

Polar Surface Area

98.610

Acid Dissociation Constant (pKa)

11.75

Base Dissociation Constant (pKb)

-2.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

Y010-0993 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

C-Met Library (15277 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y010-0993 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0993?
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What is the minimum amount of Y010-0993 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0993
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0993
  • 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 Y010-0993 available by request