C202-0739 Screening compound: ethyl 7-(4-chlorophenyl)-5-methyl-2-({[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl}sulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-0739 Screening compound: ethyl 7-(4-chlorophenyl)-5-methyl-2-({[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl}sulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-0739 Screening compound: ethyl 7-(4-chlorophenyl)-5-methyl-2-({[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl}sulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0739
ethyl 7-(4-chlorophenyl)-5-methyl-2-({[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl}sulfanyl)-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

C202-0739

Molecular Formula

C30H25ClN6O3S (C30 H25 ClN6 O3 S)

Compound Name

ethyl 7-(4-chlorophenyl)-5-methyl-2-({[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]methyl}sulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 7-(4-chlorophenyl)-5-methyl-2-({[4-(5-phenyl-134-oxadiazol-2-yl)phenyl]methyl}sulfanyl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)Nc2nc(SCc(cc3)ccc3-c3nnc(-c4ccccc4)o3)nn2C1c(cc1)ccc1Cl)=O

InChI

InChI=1S/C30H25ClN6O3S/c1-3-39-28(38)24-18(2)32-29-33-30(36-37(29)25(24)20-13-15-23(31)16-14-20)41-17-19-9-11-22(12-10-19)27-35-34-26(40-27)21-7-5-4-6-8-21/h4-16,25H,3,17H2,1-2H3,(H,32,33,36)/t25-/m0/s1

InChI Key

ANFXSUJXPWEDMU-VWLOTQADSA-N

MDL Number (MFCD)

MFCD14730141

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.09

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.379

Distribution Coefficient, logD

6.278

Water Solubility, LogSw

-6.33

Polar Surface Area

86.497

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with C202-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0739?
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What is the minimum amount of C202-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0739
  • 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 C202-0739 available by request