Y020-7639 Screening compound: prop-2-en-1-yl 7-(4-chlorophenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Y020-7639 Screening compound: prop-2-en-1-yl 7-(4-chlorophenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Y020-7639 Screening compound: prop-2-en-1-yl 7-(4-chlorophenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7639
prop-2-en-1-yl 7-(4-chlorophenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-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

Y020-7639

Molecular Formula

C19H19ClN4O4S (C19 H19 ClN4 O4 S)

Compound Name

prop-2-en-1-yl 7-(4-chlorophenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

prop-2-en-1-yl 7-(4-chlorophenyl)-2-[(2-methoxy-2-oxoethyl)sulfanyl]-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CC(Nc1nc(SCC(OC)=O)nn1C1c(cc2)ccc2Cl)=C1C(OCC=C)=O

InChI

InChI=1S/C19H19ClN4O4S/c1-4-9-28-17(26)15-11(2)21-18-22-19(29-10-14(25)27-3)23-24(18)16(15)12-5-7-13(20)8-6-12/h4-8,16H,1,9-10H2,2-3H3,(H,21,22,23)/t16-/m0/s1

InChI Key

QPRYKRULMUCXBD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06752937

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.511

Distribution Coefficient, logD

3.452

Water Solubility, LogSw

-4.27

Polar Surface Area

77.398

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

Y020-7639 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y020-7639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7639?
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What is the minimum amount of Y020-7639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7639
  • 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 Y020-7639 available by request