D398-0646 Screening compound: 3-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1-methyl-5-(trifluoromethyl)-1H-pyrazole

D398-0646 Screening compound: 3-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1-methyl-5-(trifluoromethyl)-1H-pyrazole
D398-0646 Screening compound: 3-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1-methyl-5-(trifluoromethyl)-1H-pyrazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D398-0646
3-[2-(furan-2-yl)pyrrolidine-1-carbonyl]-1-methyl-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

D398-0646

Molecular Formula

C14H14F3N3O2 (C14 H14 F3 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cn(c(C(F)(F)F)c1)nc1C(N(CCC1)C1c1ccco1)=O

InChI

InChI=1S/C14H14F3N3O2/c1-19-12(14(15,16)17)8-9(18-19)13(21)20-6-2-4-10(20)11-5-3-7-22-11/h3,5,7-8,10H,2,4,6H2,1H3/t10-/m0/s1

InChI Key

YEKZYOANYPEAEZ-JTQLQIEISA-N

MDL Number (MFCD)

MFCD14826427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.887

Distribution Coefficient, logD

1.887

Water Solubility, LogSw

-2.12

Polar Surface Area

38.769

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

D398-0646 in Drug Discovery

Included in Screening Libraries

Soluble Diversity Library (15920 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D398-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D398-0646?
Check Price and Availability of D398-0646, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D398-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D398-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D398-0646
  • 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 D398-0646 available by request