8013-0095 Screening compound: 7-(chlorodifluoromethyl)-N-[3-(1H-imidazol-1-yl)propyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

8013-0095 Screening compound: 7-(chlorodifluoromethyl)-N-[3-(1H-imidazol-1-yl)propyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
8013-0095 Screening compound: 7-(chlorodifluoromethyl)-N-[3-(1H-imidazol-1-yl)propyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-0095
7-(chlorodifluoromethyl)-N-[3-(1H-imidazol-1-yl)propyl]-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

8013-0095

Molecular Formula

C18H15ClF2N6OS (C18 H15 ClF2 N6 OS)

Compound Name

7-(chlorodifluoromethyl)-N-[3-(1H-imidazol-1-yl)propyl]-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

IUPAC name

7-(chlorodifluoromethyl)-N-[3-(1H-imidazol-1-yl)propyl]-5-(thiophen-2-yl)pyrazolo[15-a]pyrimidine-2-carboxamide

SMILES

O=C(c1nn2c(C(F)(F)Cl)cc(-c3cccs3)nc2c1)NCCCn1cncc1

InChI

InChI=1S/C18H15ClF2N6OS/c19-18(20,21)15-9-12(14-3-1-8-29-14)24-16-10-13(25-27(15)16)17(28)23-4-2-6-26-7-5-22-11-26/h1,3,5,7-11H,2,4,6H2,(H,23,28)

InChI Key

DMACMYJAZUOMCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408290

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

436.87

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.104

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-3.70

Polar Surface Area

56.471

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

7.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8013-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-0095?
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What is the minimum amount of 8013-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-0095
  • 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 8013-0095 available by request