C202-0899 Screening compound: ethyl 7-(2-ethoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-0899 Screening compound: ethyl 7-(2-ethoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-0899 Screening compound: ethyl 7-(2-ethoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0899
ethyl 7-(2-ethoxyphenyl)-5-methyl-2-{[(2-methylphenyl)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

C202-0899

Molecular Formula

C25H28N4O3S (C25 H28 N4 O3 S)

Compound Name

ethyl 7-(2-ethoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 7-(2-ethoxyphenyl)-5-methyl-2-{[(2-methylphenyl)methyl]sulfanyl}-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)Nc2nc(SCc3c(C)cccc3)nn2C1c(cccc1)c1OCC)=O

InChI

InChI=1S/C25H28N4O3S/c1-5-31-20-14-10-9-13-19(20)22-21(23(30)32-6-2)17(4)26-24-27-25(28-29(22)24)33-15-18-12-8-7-11-16(18)3/h7-14,22H,5-6,15H2,1-4H3,(H,26,27,28)/t22-/m0/s1

InChI Key

SDNVKJBEDHMRFO-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14730205

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.236

Distribution Coefficient, logD

6.135

Water Solubility, LogSw

-5.52

Polar Surface Area

63.463

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-2.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

C202-0899 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C202-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0899?
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What is the minimum amount of C202-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0899
  • 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 C202-0899 available by request