C202-2577 Screening compound: ethyl 2-(ethylsulfanyl)-5-methyl-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-2577 Screening compound: ethyl 2-(ethylsulfanyl)-5-methyl-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-2577 Screening compound: ethyl 2-(ethylsulfanyl)-5-methyl-7-(4-methylphenyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2577
ethyl 2-(ethylsulfanyl)-5-methyl-7-(4-methylphenyl)-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

C202-2577

Molecular Formula

C18H22N4O2S (C18 H22 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C1=C(C)Nc2nc(SCC)nn2C1c1ccc(C)cc1)=O

InChI

InChI=1S/C18H22N4O2S/c1-5-24-16(23)14-12(4)19-17-20-18(25-6-2)21-22(17)15(14)13-9-7-11(3)8-10-13/h7-10,15H,5-6H2,1-4H3,(H,19,20,21)/t15-/m0/s1

InChI Key

HTWJIQVGCQGDDV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14731105

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.234

Distribution Coefficient, logD

4.065

Water Solubility, LogSw

-4.03

Polar Surface Area

56.525

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.90

References: we are preparing a list of scientific research reports with C202-2577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2577?
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What is the minimum amount of C202-2577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2577
  • 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 C202-2577 available by request