V025-0781 Screening compound: 1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N~3~-isobutyl-3-pyrrolidinecarboxamide

V025-0781 Screening compound: 1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N~3~-isobutyl-3-pyrrolidinecarboxamide
V025-0781 Screening compound: 1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N~3~-isobutyl-3-pyrrolidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V025-0781
1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N~3~-isobutyl-3-pyrrolidinecarboxamide

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

V025-0781

Molecular Formula

C22H24F2N2O2 (C22 H24 F2 N2 O2)

Compound Name

1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N~3~-isobutyl-3-pyrrolidinecarboxamide

IUPAC name

1-(4-fluorobenzoyl)-4-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-3-carboxamide

SMILES

CC(C)CNC(C(CN(C1)C(c(cc2)ccc2F)=O)C1c(cc1)ccc1F)=O

InChI

InChI=1S/C22H24F2N2O2/c1-14(2)11-25-21(27)20-13-26(22(28)16-5-9-18(24)10-6-16)12-19(20)15-3-7-17(23)8-4-15/h3-10,14,19-20H,11-13H2,1-2H3,(H,25,27)

InChI Key

SZYHHKBWRVPHOG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14261402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.471

Distribution Coefficient, logD

3.471

Water Solubility, LogSw

-3.57

Polar Surface Area

41.533

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

V025-0781 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V025-0781 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V025-0781?
Check Price and Availability of V025-0781, 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 V025-0781 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V025-0781
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V025-0781
  • 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 V025-0781 available by request