V006-5439 Screening compound: 3-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(4-fluorophenyl)methyl]propanamide

V006-5439 Screening compound: 3-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(4-fluorophenyl)methyl]propanamide
V006-5439 Screening compound: 3-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(4-fluorophenyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V006-5439
3-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(4-fluorophenyl)methyl]propanamide

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

V006-5439

Molecular Formula

C24H21ClFN3O (C24 H21 ClFN3 O)

Compound Name

3-{2-[(2-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-N-[(4-fluorophenyl)methyl]propanamide

IUPAC name

3-{2-[(2-chlorophenyl)methyl]-1H-13-benzodiazol-1-yl}-N-[(4-fluorophenyl)methyl]propanamide

SMILES

O=C(CCn1c(cccc2)c2nc1Cc(cccc1)c1Cl)NCc(cc1)ccc1F

InChI

InChI=1S/C24H21ClFN3O/c25-20-6-2-1-5-18(20)15-23-28-21-7-3-4-8-22(21)29(23)14-13-24(30)27-16-17-9-11-19(26)12-10-17/h1-12H,13-16H2,(H,27,30)

InChI Key

WVEUUWARVUQFAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19785693

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

421.9

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.147

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-5.54

Polar Surface Area

35.322

Acid Dissociation Constant (pKa)

12.25

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

V006-5439 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with V006-5439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V006-5439?
Check Price and Availability of V006-5439, 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 V006-5439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V006-5439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V006-5439
  • 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 V006-5439 available by request