8012-9691 Screening compound: 7-(chlorodifluoromethyl)-N-[2-(2-chlorophenyl)ethyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

8012-9691 Screening compound: 7-(chlorodifluoromethyl)-N-[2-(2-chlorophenyl)ethyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
8012-9691 Screening compound: 7-(chlorodifluoromethyl)-N-[2-(2-chlorophenyl)ethyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9691
7-(chlorodifluoromethyl)-N-[2-(2-chlorophenyl)ethyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

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

8012-9691

Molecular Formula

C20H14Cl2F2N4OS (C20 H14 Cl2 F2 N4 OS)

Compound Name

7-(chlorodifluoromethyl)-N-[2-(2-chlorophenyl)ethyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

7-(chlorodifluoromethyl)-N-[2-(2-chlorophenyl)ethyl]-5-(thiophen-2-yl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn2c(C(F)(F)Cl)cc(-c3cccs3)nc2c1)NCCc(cccc1)c1Cl

InChI

InChI=1S/C20H14Cl2F2N4OS/c21-13-5-2-1-4-12(13)7-8-25-19(29)15-11-18-26-14(16-6-3-9-30-16)10-17(20(22,23)24)28(18)27-15/h1-6,9-11H,7-8H2,(H,25,29)

InChI Key

SGKRBXNTLOXOJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308509

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.33

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.627

Distribution Coefficient, logD

5.627

Water Solubility, LogSw

-6.01

Polar Surface Area

43.671

Acid Dissociation Constant (pKa)

14.06

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with 8012-9691 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9691?
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What is the minimum amount of 8012-9691 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9691
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9691
  • 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 8012-9691 available by request