D398-0357 Screening compound: 1-methyl-3-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyrazole

D398-0357 Screening compound: 1-methyl-3-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyrazole
D398-0357 Screening compound: 1-methyl-3-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0357
1-methyl-3-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyrazole

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

D398-0357

Molecular Formula

C17H18F3N3O (C17 H18 F3 N3 O)

Compound Name

1-methyl-3-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyrazole

IUPAC name

1-methyl-3-[2-(3-methylphenyl)pyrrolidine-1-carbonyl]-5-(trifluoromethyl)-1H-pyrazole

SMILES

Cc1cccc(C(CCC2)N2C(c2nn(C)c(C(F)(F)F)c2)=O)c1

InChI

InChI=1S/C17H18F3N3O/c1-11-5-3-6-12(9-11)14-7-4-8-23(14)16(24)13-10-15(17(18,19)20)22(2)21-13/h3,5-6,9-10,14H,4,7-8H2,1-2H3/t14-/m0/s1

InChI Key

PHXWUOCXTSBMDB-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD27583359

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.203

Distribution Coefficient, logD

3.203

Water Solubility, LogSw

-3.04

Polar Surface Area

30.191

Acid Dissociation Constant (pKa)

24.12

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

D398-0357 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with D398-0357 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0357?
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What is the minimum amount of D398-0357 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0357
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0357
  • 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 D398-0357 available by request