V004-6445 Screening compound: 1-(4-FLUOROBENZOYL)-4-(3-FLUOROPHENYL)-N-(3-METHOXYPROPYL)-3-PYRROLIDINECARBOXAMIDE

V004-6445 Screening compound: 1-(4-FLUOROBENZOYL)-4-(3-FLUOROPHENYL)-N-(3-METHOXYPROPYL)-3-PYRROLIDINECARBOXAMIDE
V004-6445 Screening compound: 1-(4-FLUOROBENZOYL)-4-(3-FLUOROPHENYL)-N-(3-METHOXYPROPYL)-3-PYRROLIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V004-6445
1-(4-FLUOROBENZOYL)-4-(3-FLUOROPHENYL)-N-(3-METHOXYPROPYL)-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

V004-6445

Molecular Formula

C22H24F2N2O3 (C22 H24 F2 N2 O3)

Compound Name

1-(4-FLUOROBENZOYL)-4-(3-FLUOROPHENYL)-N-(3-METHOXYPROPYL)-3-PYRROLIDINECARBOXAMIDE

IUPAC name

1-(4-fluorobenzoyl)-4-(3-fluorophenyl)-N-(3-methoxypropyl)pyrrolidine-3-carboxamide

SMILES

COCCCNC(C(CN(C1)C(c(cc2)ccc2F)=O)C1c1cccc(F)c1)=O

InChI

InChI=1S/C22H24F2N2O3/c1-29-11-3-10-25-21(27)20-14-26(22(28)15-6-8-17(23)9-7-15)13-19(20)16-4-2-5-18(24)12-16/h2,4-9,12,19-20H,3,10-11,13-14H2,1H3,(H,25,27)

InChI Key

XIOJFKKHRJCEBG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14261754

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.486

Distribution Coefficient, logD

2.486

Water Solubility, LogSw

-2.96

Polar Surface Area

49.717

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.36

V004-6445 in Drug Discovery

Included in Screening Libraries

Macl-GPIb alpha Interaction Library (22969 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with V004-6445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V004-6445?
Check Price and Availability of V004-6445, 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 V004-6445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V004-6445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V004-6445
  • 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 V004-6445 available by request