V029-0407 Screening compound: N-[(2-FLUOROPHENYL)METHYL]-3-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}BENZAMIDE

V029-0407 Screening compound: N-[(2-FLUOROPHENYL)METHYL]-3-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}BENZAMIDE
V029-0407 Screening compound: N-[(2-FLUOROPHENYL)METHYL]-3-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}BENZAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0407
N-[(2-FLUOROPHENYL)METHYL]-3-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}BENZAMIDE

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

V029-0407

Molecular Formula

C25H25F2N3O (C25 H25 F2 N3 O)

Compound Name

N-[(2-FLUOROPHENYL)METHYL]-3-{[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]METHYL}BENZAMIDE

IUPAC name

N-[(2-fluorophenyl)methyl]-3-{[4-(4-fluorophenyl)piperazin-1-yl]methyl}benzamide

SMILES

O=C(c1cc(CN(CC2)CCN2c(cc2)ccc2F)ccc1)NCc(cccc1)c1F

InChI

InChI=1S/C25H25F2N3O/c26-22-8-10-23(11-9-22)30-14-12-29(13-15-30)18-19-4-3-6-20(16-19)25(31)28-17-21-5-1-2-7-24(21)27/h1-11,16H,12-15,17-18H2,(H,28,31)

InChI Key

QUOPBLTVGPOFAX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19900468

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.299

Distribution Coefficient, logD

4.267

Water Solubility, LogSw

-4.27

Polar Surface Area

31.645

Acid Dissociation Constant (pKa)

11.01

Base Dissociation Constant (pKb)

6.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

V029-0407 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V029-0407 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0407?
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What is the minimum amount of V029-0407 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0407
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0407
  • 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 V029-0407 available by request