8012-9789 Screening compound: 1-[7-(chlorodifluoromethyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,3-dihydro-1H-indole

8012-9789 Screening compound: 1-[7-(chlorodifluoromethyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,3-dihydro-1H-indole
8012-9789 Screening compound: 1-[7-(chlorodifluoromethyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,3-dihydro-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-9789
1-[7-(chlorodifluoromethyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,3-dihydro-1H-indole

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

8012-9789

Molecular Formula

C20H13ClF2N4O2 (C20 H13 ClF2 N4 O2)

Compound Name

1-[7-(chlorodifluoromethyl)-5-(furan-2-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]-2,3-dihydro-1H-indole

IUPAC name

1-[7-(chlorodifluoromethyl)-5-(furan-2-yl)pyrazolo[15-a]pyrimidine-2-carbonyl]-23-dihydro-1H-indole

SMILES

O=C(c1nn2c(C(F)(F)Cl)cc(-c3ccco3)nc2c1)N(CC1)c2c1cccc2

InChI

InChI=1S/C20H13ClF2N4O2/c21-20(22,23)17-10-13(16-6-3-9-29-16)24-18-11-14(25-27(17)18)19(28)26-8-7-12-4-1-2-5-15(12)26/h1-6,9-11H,7-8H2

InChI Key

PSUXSQSQLUHYCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03408092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.8

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.440

Distribution Coefficient, logD

4.440

Water Solubility, LogSw

-4.61

Polar Surface Area

42.655

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

8012-9789 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 8012-9789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-9789?
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What is the minimum amount of 8012-9789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-9789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-9789
  • 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 8012-9789 available by request