Y020-0897 Screening compound: ethyl 2-{2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate

Y020-0897 Screening compound: ethyl 2-{2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate
Y020-0897 Screening compound: ethyl 2-{2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-0897
ethyl 2-{2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]acetamido}-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

Y020-0897

Molecular Formula

C21H22N4O4S3 (C21 H22 N4 O4 S3)

Compound Name

ethyl 2-{2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]acetamido}-4-methyl-1,3-thiazole-5-carboxylate

IUPAC name

ethyl 2-{2-[(4-hydroxy-6-{[(4-methylphenyl)sulfanyl]methyl}pyrimidin-2-yl)sulfanyl]acetamido}-4-methyl-13-thiazole-5-carboxylate

SMILES

CCOC(c1c(C)nc(NC(CSc2nc(O)cc(CSc3ccc(C)cc3)n2)=O)s1)=O

InChI

InChI=1S/C21H22N4O4S3/c1-4-29-19(28)18-13(3)22-21(32-18)25-17(27)11-31-20-23-14(9-16(26)24-20)10-30-15-7-5-12(2)6-8-15/h5-9H,4,10-11H2,1-3H3,(H,22,25,27)(H,23,24,26)

InChI Key

UOHSOHFTFVVLIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03904431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.63

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.795

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.30

Polar Surface Area

89.269

Acid Dissociation Constant (pKa)

7.40

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Y020-0897 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y020-0897 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-0897?
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What is the minimum amount of Y020-0897 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-0897
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-0897
  • 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 Y020-0897 available by request