D398-0292 Screening compound: 2-(3-methylphenyl)-1-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine

D398-0292 Screening compound: 2-(3-methylphenyl)-1-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine
D398-0292 Screening compound: 2-(3-methylphenyl)-1-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0292
2-(3-methylphenyl)-1-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine

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

D398-0292

Molecular Formula

C23H19F3N4OS (C23 H19 F3 N4 OS)

Compound Name

2-(3-methylphenyl)-1-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]pyrrolidine

IUPAC name

2-(3-methylphenyl)-1-[5-(thiophen-2-yl)-7-(trifluoromethyl)pyrazolo[15-a]pyrimidine-2-carbonyl]pyrrolidine

SMILES

Cc1cccc(C(CCC2)N2C(c2nn3c(C(F)(F)F)cc(-c4cccs4)nc3c2)=O)c1

InChI

InChI=1S/C23H19F3N4OS/c1-14-5-2-6-15(11-14)18-7-3-9-29(18)22(31)17-13-21-27-16(19-8-4-10-32-19)12-20(23(24,25)26)30(21)28-17/h2,4-6,8,10-13,18H,3,7,9H2,1H3/t18-/m0/s1

InChI Key

OOFKQSUFHDPBHV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD10702621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

456.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.420

Distribution Coefficient, logD

5.420

Water Solubility, LogSw

-5.35

Polar Surface Area

35.853

Acid Dissociation Constant (pKa)

23.69

Base Dissociation Constant (pKb)

1.94

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

D398-0292 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0292?
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What is the minimum amount of D398-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0292
  • 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 D398-0292 available by request