V003-5345 Screening compound: 3-{2-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

V003-5345 Screening compound: 3-{2-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one
V003-5345 Screening compound: 3-{2-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-5345
3-{2-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

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

V003-5345

Molecular Formula

C27H26ClFN4O (C27 H26 ClFN4 O)

Compound Name

3-{2-[(3-chlorophenyl)methyl]-1H-1,3-benzodiazol-1-yl}-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

IUPAC name

3-{2-[(3-chlorophenyl)methyl]-1H-13-benzodiazol-1-yl}-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one

SMILES

O=C(CCn1c(cccc2)c2nc1Cc1cccc(Cl)c1)N(CC1)CCN1c(cccc1)c1F

InChI

InChI=1S/C27H26ClFN4O/c28-21-7-5-6-20(18-21)19-26-30-23-9-2-4-11-25(23)33(26)13-12-27(34)32-16-14-31(15-17-32)24-10-3-1-8-22(24)29/h1-11,18H,12-17,19H2

InChI Key

AGIQHUFFCWMYSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19784498

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

476.98

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.331

Distribution Coefficient, logD

5.330

Water Solubility, LogSw

-5.81

Polar Surface Area

30.202

Acid Dissociation Constant (pKa)

23.24

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

V003-5345 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with V003-5345 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-5345?
Check Price and Availability of V003-5345, 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 V003-5345 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-5345
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-5345
  • 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 V003-5345 available by request