V003-5464 Screening compound: 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide

V003-5464 Screening compound: 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide
V003-5464 Screening compound: 1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5464
1-(2-fluorobenzoyl)-4-(3-fluorophenyl)-N-(3-methylbutyl)pyrrolidine-3-carboxamide

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

V003-5464

Molecular Formula

C23H26F2N2O2 (C23 H26 F2 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCNC(C(CN(C1)C(c(cccc2)c2F)=O)C1c1cc(F)ccc1)=O

InChI

InChI=1S/C23H26F2N2O2/c1-15(2)10-11-26-22(28)20-14-27(23(29)18-8-3-4-9-21(18)25)13-19(20)16-6-5-7-17(24)12-16/h3-9,12,15,19-20H,10-11,13-14H2,1-2H3,(H,26,28)

InChI Key

QTLHFRBOJNKYCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14261788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.927

Distribution Coefficient, logD

3.927

Water Solubility, LogSw

-3.96

Polar Surface Area

41.374

Acid Dissociation Constant (pKa)

13.07

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.10

V003-5464 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 V003-5464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5464?
Check Price and Availability of V003-5464, 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 V003-5464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5464
  • 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 V003-5464 available by request