8012-7744 Screening compound: 7-(chlorodifluoromethyl)-5-(furan-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

8012-7744 Screening compound: 7-(chlorodifluoromethyl)-5-(furan-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
8012-7744 Screening compound: 7-(chlorodifluoromethyl)-5-(furan-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7744
7-(chlorodifluoromethyl)-5-(furan-2-yl)-N-[4-(trifluoromethoxy)phenyl]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

8012-7744

Molecular Formula

C19H10ClF5N4O3 (C19 H10 ClF5 N4 O3)

Compound Name

7-(chlorodifluoromethyl)-5-(furan-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

7-(chlorodifluoromethyl)-5-(furan-2-yl)-N-[4-(trifluoromethoxy)phenyl]pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn2c(C(F)(F)Cl)cc(-c3ccco3)nc2c1)Nc(cc1)ccc1OC(F)(F)F

InChI

InChI=1S/C19H10ClF5N4O3/c20-18(21,22)15-8-12(14-2-1-7-31-14)27-16-9-13(28-29(15)16)17(30)26-10-3-5-11(6-4-10)32-19(23,24)25/h1-9H,(H,26,30)

InChI Key

WEUNJJSHWHNIBU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.567

Distribution Coefficient, logD

5.567

Water Solubility, LogSw

-6.03

Polar Surface Area

56.004

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

-3.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.50

8012-7744 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8012-7744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7744?
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What is the minimum amount of 8012-7744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7744
  • 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 8012-7744 available by request