6466-0482 Screening compound: 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

6466-0482 Screening compound: 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
6466-0482 Screening compound: 7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6466-0482
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-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

6466-0482

Molecular Formula

C25H27F2N5O3S (C25 H27 F2 N5 O3 S)

Compound Name

7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

IUPAC name

7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]-4H5H6H7H-pyrazolo[15-a]pyrimidine-3-carboxamide

SMILES

Cc1ccc(C(CC(C(F)F)n2nc3)Nc2c3C(Nc(cc2)ccc2S(N2CCCC2)(=O)=O)=O)cc1

InChI

InChI=1S/C25H27F2N5O3S/c1-16-4-6-17(7-5-16)21-14-22(23(26)27)32-24(30-21)20(15-28-32)25(33)29-18-8-10-19(11-9-18)36(34,35)31-12-2-3-13-31/h4-11,15,21-23,30H,2-3,12-14H2,1H3,(H,29,33)

InChI Key

JJNCOJAKUWBDLX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.58

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.745

Distribution Coefficient, logD

3.743

Water Solubility, LogSw

-3.80

Polar Surface Area

80.682

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-3.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

6466-0482 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6466-0482 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6466-0482?
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What is the minimum amount of 6466-0482 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6466-0482
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6466-0482
  • 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 6466-0482 available by request