C202-0052 Screening compound: cyclohexyl 7-(3-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

C202-0052 Screening compound: cyclohexyl 7-(3-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate
C202-0052 Screening compound: cyclohexyl 7-(3-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C202-0052
cyclohexyl 7-(3-fluorophenyl)-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

C202-0052

Molecular Formula

C19H21FN4O2 (C19 H21 FN4 O2)

Compound Name

cyclohexyl 7-(3-fluorophenyl)-5-methyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

IUPAC name

cyclohexyl 7-(3-fluorophenyl)-5-methyl-4H7H-[124]triazolo[15-a]pyrimidine-6-carboxylate

SMILES

CC(Nc1ncnn1C1c2cccc(F)c2)=C1C(OC1CCCCC1)=O

InChI

InChI=1S/C19H21FN4O2/c1-12-16(18(25)26-15-8-3-2-4-9-15)17(13-6-5-7-14(20)10-13)24-19(23-12)21-11-22-24/h5-7,10-11,15,17H,2-4,8-9H2,1H3,(H,21,22,23)/t17-/m0/s1

InChI Key

IEZWZDNTOVFZLD-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD08830993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.073

Distribution Coefficient, logD

3.785

Water Solubility, LogSw

-4.01

Polar Surface Area

58.074

Acid Dissociation Constant (pKa)

7.43

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

C202-0052 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 C202-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C202-0052?
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What is the minimum amount of C202-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C202-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C202-0052
  • 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 C202-0052 available by request