V016-8334 Screening compound: (2E)-N-[4-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide

V016-8334 Screening compound: (2E)-N-[4-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide
V016-8334 Screening compound: (2E)-N-[4-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8334
(2E)-N-[4-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-[(3-fluorophenyl)methyl]-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

V016-8334

Molecular Formula

C32H27FN2O4 (C32 H27 FN2 O4)

Compound Name

(2E)-N-[4-({[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[4-({[(2H-13-benzodioxol-5-yl)methyl]carbamoyl}methyl)phenyl]-N-[(3-fluorophenyl)methyl]-3-phenylprop-2-enamide

SMILES

O=C(Cc(cc1)ccc1N(Cc1cccc(F)c1)C(/C=C/c1ccccc1)=O)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C32H27FN2O4/c33-27-8-4-7-26(17-27)21-35(32(37)16-12-23-5-2-1-3-6-23)28-13-9-24(10-14-28)19-31(36)34-20-25-11-15-29-30(18-25)39-22-38-29/h1-18H,19-22H2,(H,34,36)

InChI Key

ZLGBGWJOEOHOJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19903504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.690

Distribution Coefficient, logD

5.690

Water Solubility, LogSw

-5.84

Polar Surface Area

56.377

Acid Dissociation Constant (pKa)

14.09

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

V016-8334 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Kinases
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V016-8334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8334?
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What is the minimum amount of V016-8334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8334
  • 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 V016-8334 available by request