C202-2486 Screening compound: ethyl 7-(2-ethoxyphenyl)-5-methyl-2-(pentylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-2486 Screening compound: ethyl 7-(2-ethoxyphenyl)-5-methyl-2-(pentylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-2486 Screening compound: ethyl 7-(2-ethoxyphenyl)-5-methyl-2-(pentylsulfanyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2486
ethyl 7-(2-ethoxyphenyl)-5-methyl-2-(pentylsulfanyl)-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

C202-2486

Molecular Formula

C22H30N4O3S (C22 H30 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCSc1nn(C(c(cccc2)c2OCC)C(C(OCC)=O)=C(C)N2)c2n1

InChI

InChI=1S/C22H30N4O3S/c1-5-8-11-14-30-22-24-21-23-15(4)18(20(27)29-7-3)19(26(21)25-22)16-12-9-10-13-17(16)28-6-2/h9-10,12-13,19H,5-8,11,14H2,1-4H3,(H,23,24,25)/t19-/m0/s1

InChI Key

QRODONDRBGOCRA-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14731034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.051

Distribution Coefficient, logD

5.882

Water Solubility, LogSw

-5.25

Polar Surface Area

63.735

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with C202-2486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2486?
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What is the minimum amount of C202-2486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2486
  • 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 C202-2486 available by request