V016-7187 Screening compound: (2E)-1-[4-(2-benzyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one

V016-7187 Screening compound: (2E)-1-[4-(2-benzyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one
V016-7187 Screening compound: (2E)-1-[4-(2-benzyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-7187
(2E)-1-[4-(2-benzyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]-3-(4-fluorophenyl)prop-2-en-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

V016-7187

Molecular Formula

C28H26FN3O (C28 H26 FN3 O)

Compound Name

(2E)-1-[4-(2-benzyl-1H-1,3-benzodiazol-1-yl)piperidin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one

IUPAC name

(2E)-1-[4-(2-benzyl-1H-13-benzodiazol-1-yl)piperidin-1-yl]-3-(4-fluorophenyl)prop-2-en-1-one

SMILES

O=C(/C=C/c(cc1)ccc1F)N(CC1)CCC1n1c(cccc2)c2nc1Cc1ccccc1

InChI

InChI=1S/C28H26FN3O/c29-23-13-10-21(11-14-23)12-15-28(33)31-18-16-24(17-19-31)32-26-9-5-4-8-25(26)30-27(32)20-22-6-2-1-3-7-22/h1-15,24H,16-20H2

InChI Key

CWDZYIJCPXGQKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19953769

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

439.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.586

Distribution Coefficient, logD

5.586

Water Solubility, LogSw

-5.75

Polar Surface Area

27.377

Acid Dissociation Constant (pKa)

22.48

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V016-7187 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V016-7187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-7187?
Check Price and Availability of V016-7187, 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 V016-7187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-7187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-7187
  • 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 V016-7187 available by request