V017-1859 Screening compound: ethyl 1-(2-{3-[(2E)-N-benzyl-3-phenylprop-2-enamido]phenyl}acetyl)piperidine-3-carboxylate

V017-1859 Screening compound: ethyl 1-(2-{3-[(2E)-N-benzyl-3-phenylprop-2-enamido]phenyl}acetyl)piperidine-3-carboxylate
V017-1859 Screening compound: ethyl 1-(2-{3-[(2E)-N-benzyl-3-phenylprop-2-enamido]phenyl}acetyl)piperidine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-1859
ethyl 1-(2-{3-[(2E)-N-benzyl-3-phenylprop-2-enamido]phenyl}acetyl)piperidine-3-carboxylate

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

V017-1859

Molecular Formula

C32H34N2O4 (C32 H34 N2 O4)

Compound Name

ethyl 1-(2-{3-[(2E)-N-benzyl-3-phenylprop-2-enamido]phenyl}acetyl)piperidine-3-carboxylate

IUPAC name

ethyl 1-(2-{3-[(2E)-N-benzyl-3-phenylprop-2-enamido]phenyl}acetyl)piperidine-3-carboxylate

SMILES

CCOC(C(CCC1)CN1C(Cc1cccc(N(Cc2ccccc2)C(/C=C/c2ccccc2)=O)c1)=O)=O

InChI

InChI=1S/C32H34N2O4/c1-2-38-32(37)28-16-10-20-33(24-28)31(36)22-27-15-9-17-29(21-27)34(23-26-13-7-4-8-14-26)30(35)19-18-25-11-5-3-6-12-25/h3-9,11-15,17-19,21,28H,2,10,16,20,22-24H2,1H3/t28-/m0/s1

InChI Key

DQKFPPFQUFVWCM-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD19915242

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.63

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.495

Distribution Coefficient, logD

5.495

Water Solubility, LogSw

-5.35

Polar Surface Area

51.870

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

0.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.10

V017-1859 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 V017-1859 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-1859?
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What is the minimum amount of V017-1859 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-1859
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-1859
  • 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 V017-1859 available by request