D398-0071 Screening compound: 1-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyrazole

D398-0071 Screening compound: 1-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyrazole
D398-0071 Screening compound: 1-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-3-(trifluoromethyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0071
1-methyl-5-[2-(thiophen-2-yl)pyrrolidine-1-carbonyl]-3-(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

D398-0071

Molecular Formula

C14H14F3N3OS (C14 H14 F3 N3 OS)

Compound Name

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

IUPAC name

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

SMILES

Cn1nc(C(F)(F)F)cc1C(N(CCC1)C1c1cccs1)=O

InChI

InChI=1S/C14H14F3N3OS/c1-19-10(8-12(18-19)14(15,16)17)13(21)20-6-2-4-9(20)11-5-3-7-22-11/h3,5,7-9H,2,4,6H2,1H3/t9-/m0/s1

InChI Key

FMDALIJKCXPUGW-VIFPVBQESA-N

MDL Number (MFCD)

MFCD14826358

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.35

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

2.310

Distribution Coefficient, logD

2.310

Water Solubility, LogSw

-2.65

Polar Surface Area

31.209

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D398-0071 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D398-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0071?
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What is the minimum amount of D398-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0071
  • 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 D398-0071 available by request