8012-6062 Screening compound: 5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

8012-6062 Screening compound: 5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid
8012-6062 Screening compound: 5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-6062
5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

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

8012-6062

Molecular Formula

C14H11F4N3O2 (C14 H11 F4 N3 O2)

Compound Name

5-(4-fluorophenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-2-carboxylic acid

IUPAC name

5-(4-fluorophenyl)-7-(trifluoromethyl)-4H5H6H7H-pyrazolo[15-a]pyrimidine-2-carboxylic acid

SMILES

OC(c1nn(C(CC(c(cc2)ccc2F)N2)C(F)(F)F)c2c1)=O

InChI

InChI=1S/C14H11F4N3O2/c15-8-3-1-7(2-4-8)9-5-11(14(16,17)18)21-12(19-9)6-10(20-21)13(22)23/h1-4,6,9,11,19H,5H2,(H,22,23)

InChI Key

FOEPEPMBSAXCJM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02628187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.771

Distribution Coefficient, logD

0.590

Water Solubility, LogSw

-2.97

Polar Surface Area

56.174

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.57

8012-6062 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

RNA-Protein Interaction Inhibitors Library (1986 compounds)

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 8012-6062 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-6062?
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What is the minimum amount of 8012-6062 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-6062
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-6062
  • 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 8012-6062 available by request