V024-1696 Screening compound: (2E)-N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-phenylprop-2-enamide

V024-1696 Screening compound: (2E)-N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-phenylprop-2-enamide
V024-1696 Screening compound: (2E)-N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V024-1696
(2E)-N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-phenylprop-2-enamide

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

V024-1696

Molecular Formula

C26H24Cl2N4O2 (C26 H24 Cl2 N4 O2)

Compound Name

(2E)-N-{6-[4-(2,4-dichlorobenzoyl)-1,4-diazepan-1-yl]pyridin-3-yl}-3-phenylprop-2-enamide

IUPAC name

(2E)-N-{6-[4-(24-dichlorobenzoyl)-14-diazepan-1-yl]pyridin-3-yl}-3-phenylprop-2-enamide

SMILES

O=C(/C=C/c1ccccc1)Nc(cc1)cnc1N(CCC1)CCN1C(c(ccc(Cl)c1)c1Cl)=O

InChI

InChI=1S/C26H24Cl2N4O2/c27-20-8-10-22(23(28)17-20)26(34)32-14-4-13-31(15-16-32)24-11-9-21(18-29-24)30-25(33)12-7-19-5-2-1-3-6-19/h1-3,5-12,17-18H,4,13-16H2,(H,30,33)

InChI Key

WLZVWKGHUNSXDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911428

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.755

Distribution Coefficient, logD

5.755

Water Solubility, LogSw

-6.04

Polar Surface Area

51.957

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

3.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

V024-1696 in Drug Discovery

Included in Screening Libraries

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

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 V024-1696 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V024-1696?
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What is the minimum amount of V024-1696 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V024-1696
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V024-1696
  • 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 V024-1696 available by request