C202-1244 Screening compound: ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-1244 Screening compound: ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-1244 Screening compound: ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-1244
ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-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

C202-1244

Molecular Formula

C24H24ClFN4O4S (C24 H24 ClFN4 O4 S)

Compound Name

ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(3,4-dimethoxyphenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

ethyl 2-{[(2-chloro-4-fluorophenyl)methyl]sulfanyl}-7-(34-dimethoxyphenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CCOC(C1=C(C)Nc2nc(SCc(ccc(F)c3)c3Cl)nn2C1c(cc1)cc(OC)c1OC)=O

InChI

InChI=1S/C24H24ClFN4O4S/c1-5-34-22(31)20-13(2)27-23-28-24(35-12-15-6-8-16(26)11-17(15)25)29-30(23)21(20)14-7-9-18(32-3)19(10-14)33-4/h6-11,21H,5,12H2,1-4H3,(H,27,28,29)/t21-/m0/s1

InChI Key

DMLUNYGUIMYXKZ-NRFANRHFSA-N

MDL Number (MFCD)

MFCD14730377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.456

Distribution Coefficient, logD

5.355

Water Solubility, LogSw

-6.04

Polar Surface Area

71.514

Acid Dissociation Constant (pKa)

7.98

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

C202-1244 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 C202-1244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-1244?
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What is the minimum amount of C202-1244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-1244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-1244
  • 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 C202-1244 available by request