Y020-7413 Screening compound: ethyl 2-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-4-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate

Y020-7413 Screening compound: ethyl 2-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-4-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Y020-7413 Screening compound: ethyl 2-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-4-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7413
ethyl 2-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-4-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-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

Y020-7413

Molecular Formula

C22H22N8O4S2 (C22 H22 N8 O4 S2)

Compound Name

ethyl 2-{[5-(ethoxycarbonyl)-4-methyl-1,3-thiazol-2-yl]amino}-4-{[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate

IUPAC name

ethyl 2-{[5-(ethoxycarbonyl)-4-methyl-13-thiazol-2-yl]amino}-4-{[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate

SMILES

CCOC(c1c(C)nc(Nc(nc2)nc(CSc3nnnn3-c3ccccc3)c2C(OCC)=O)s1)=O

InChI

InChI=1S/C22H22N8O4S2/c1-4-33-18(31)15-11-23-20(26-21-24-13(3)17(36-21)19(32)34-5-2)25-16(15)12-35-22-27-28-29-30(22)14-9-7-6-8-10-14/h6-11H,4-5,12H2,1-3H3,(H,23,24,25,26)

InChI Key

VEHVDXZMVACEMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06600465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.6

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.514

Distribution Coefficient, logD

4.506

Water Solubility, LogSw

-4.14

Polar Surface Area

122.425

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

5.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y020-7413 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y020-7413 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7413?
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What is the minimum amount of Y020-7413 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7413
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7413
  • 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 Y020-7413 available by request