C202-1254 Screening compound: ethyl 5-methyl-2-(pentylsulfanyl)-7-(2-thienyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-1254 Screening compound: ethyl 5-methyl-2-(pentylsulfanyl)-7-(2-thienyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-1254 Screening compound: ethyl 5-methyl-2-(pentylsulfanyl)-7-(2-thienyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1254
ethyl 5-methyl-2-(pentylsulfanyl)-7-(2-thienyl)-4,7-dihydro[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

C202-1254

Molecular Formula

C18H24N4O2S2 (C18 H24 N4 O2 S2)

Compound Name

ethyl 5-methyl-2-(pentylsulfanyl)-7-(2-thienyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 5-methyl-2-(pentylsulfanyl)-7-(thiophen-2-yl)-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCCCCSc1nn(C(c2cccs2)C(C(OCC)=O)=C(C)N2)c2n1

InChI

InChI=1S/C18H24N4O2S2/c1-4-6-7-10-26-18-20-17-19-12(3)14(16(23)24-5-2)15(22(17)21-18)13-9-8-11-25-13/h8-9,11,15H,4-7,10H2,1-3H3,(H,19,20,21)/t15-/m0/s1

InChI Key

UTFOILCQOPOOKD-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14730381

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.132

Distribution Coefficient, logD

4.909

Water Solubility, LogSw

-4.75

Polar Surface Area

57.543

Acid Dissociation Constant (pKa)

7.57

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C202-1254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1254?
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What is the minimum amount of C202-1254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1254
  • 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 C202-1254 available by request