Y020-7628 Screening compound: prop-2-en-1-yl 2-(benzylsulfanyl)-5-methyl-7-(2-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Y020-7628 Screening compound: prop-2-en-1-yl 2-(benzylsulfanyl)-5-methyl-7-(2-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
Y020-7628 Screening compound: prop-2-en-1-yl 2-(benzylsulfanyl)-5-methyl-7-(2-nitrophenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7628
prop-2-en-1-yl 2-(benzylsulfanyl)-5-methyl-7-(2-nitrophenyl)-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

Y020-7628

Molecular Formula

C23H21N5O4S (C23 H21 N5 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1nc(SCc2ccccc2)nn1C1c(cccc2)c2[N+]([O-])=O)=C1C(OCC=C)=O

InChI

InChI=1S/C23H21N5O4S/c1-3-13-32-21(29)19-15(2)24-22-25-23(33-14-16-9-5-4-6-10-16)26-27(22)20(19)17-11-7-8-12-18(17)28(30)31/h3-12,20H,1,13-14H2,2H3,(H,24,25,26)/t20-/m0/s1

InChI Key

NPVOEZOOYXZXPC-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD06755106

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.439

Distribution Coefficient, logD

4.381

Water Solubility, LogSw

-4.41

Polar Surface Area

89.628

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 Y020-7628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7628?
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What is the minimum amount of Y020-7628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7628
  • 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 Y020-7628 available by request