Y020-7629 Screening compound: prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-chlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Y020-7629 Screening compound: prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-chlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Y020-7629 Screening compound: prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-chlorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7629
prop-2-en-1-yl 2-(benzylsulfanyl)-7-(4-chlorophenyl)-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

Y020-7629

Molecular Formula

C23H21ClN4O2S (C23 H21 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(SCc2ccccc2)nn1C1c(cc2)ccc2Cl)=C1C(OCC=C)=O

InChI

InChI=1S/C23H21ClN4O2S/c1-3-13-30-21(29)19-15(2)25-22-26-23(31-14-16-7-5-4-6-8-16)27-28(22)20(19)17-9-11-18(24)12-10-17/h3-12,20H,1,13-14H2,2H3,(H,25,26,27)/t20-/m0/s1

InChI Key

IVHGBZOWXXHVNS-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06755107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.96

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.215

Distribution Coefficient, logD

5.157

Water Solubility, LogSw

-5.91

Polar Surface Area

56.547

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

References: we are preparing a list of scientific research reports with Y020-7629 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7629?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7629
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7629
  • 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 Y020-7629 available by request