C202-2212 Screening compound: ethyl 7-(4-bromophenyl)-2-(hexylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-2212 Screening compound: ethyl 7-(4-bromophenyl)-2-(hexylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-2212 Screening compound: ethyl 7-(4-bromophenyl)-2-(hexylsulfanyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-2212
ethyl 7-(4-bromophenyl)-2-(hexylsulfanyl)-5-methyl-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

C202-2212

Molecular Formula

C21H27BrN4O2S (C21 H27 BrN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCCCSc1nn(C(c(cc2)ccc2Br)C(C(OCC)=O)=C(C)N2)c2n1

InChI

InChI=1S/C21H27BrN4O2S/c1-4-6-7-8-13-29-21-24-20-23-14(3)17(19(27)28-5-2)18(26(20)25-21)15-9-11-16(22)12-10-15/h9-12,18H,4-8,13H2,1-3H3,(H,23,24,25)/t18-/m0/s1

InChI Key

WUILARUTCGTUGV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14730841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

479.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.838

Distribution Coefficient, logD

6.670

Water Solubility, LogSw

-5.58

Polar Surface Area

56.525

Acid Dissociation Constant (pKa)

7.72

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.60

References: we are preparing a list of scientific research reports with C202-2212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-2212?
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What is the minimum amount of C202-2212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-2212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-2212
  • 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 C202-2212 available by request