V018-1411 Screening compound: (2E)-N-[(3-fluorophenyl)methyl]-N-(4-{[methyl(propyl)carbamoyl]methyl}phenyl)-3-phenylprop-2-enamide

V018-1411 Screening compound: (2E)-N-[(3-fluorophenyl)methyl]-N-(4-{[methyl(propyl)carbamoyl]methyl}phenyl)-3-phenylprop-2-enamide
V018-1411 Screening compound: (2E)-N-[(3-fluorophenyl)methyl]-N-(4-{[methyl(propyl)carbamoyl]methyl}phenyl)-3-phenylprop-2-enamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-1411
(2E)-N-[(3-fluorophenyl)methyl]-N-(4-{[methyl(propyl)carbamoyl]methyl}phenyl)-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

V018-1411

Molecular Formula

C28H29FN2O2 (C28 H29 FN2 O2)

Compound Name

(2E)-N-[(3-fluorophenyl)methyl]-N-(4-{[methyl(propyl)carbamoyl]methyl}phenyl)-3-phenylprop-2-enamide

IUPAC name

(2E)-N-[(3-fluorophenyl)methyl]-N-(4-{[methyl(propyl)carbamoyl]methyl}phenyl)-3-phenylprop-2-enamide

SMILES

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

InChI

InChI=1S/C28H29FN2O2/c1-3-18-30(2)28(33)20-23-12-15-26(16-13-23)31(21-24-10-7-11-25(29)19-24)27(32)17-14-22-8-5-4-6-9-22/h4-17,19H,3,18,20-21H2,1-2H3

InChI Key

UKMFOLYMCUWZLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904049

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.410

Distribution Coefficient, logD

5.410

Water Solubility, LogSw

-5.35

Polar Surface Area

30.935

Acid Dissociation Constant (pKa)

17.63

Base Dissociation Constant (pKb)

-0.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

V018-1411 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V018-1411 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-1411?
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What is the minimum amount of V018-1411 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-1411
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-1411
  • 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 V018-1411 available by request