V013-6764 Screening compound: ethyl 1-(2-{4-[(2E)-N-[(3-methylphenyl)methyl]-3-phenylprop-2-enamido]phenyl}acetyl)piperidine-4-carboxylate

V013-6764 Screening compound: ethyl 1-(2-{4-[(2E)-N-[(3-methylphenyl)methyl]-3-phenylprop-2-enamido]phenyl}acetyl)piperidine-4-carboxylate
V013-6764 Screening compound: ethyl 1-(2-{4-[(2E)-N-[(3-methylphenyl)methyl]-3-phenylprop-2-enamido]phenyl}acetyl)piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-6764
ethyl 1-(2-{4-[(2E)-N-[(3-methylphenyl)methyl]-3-phenylprop-2-enamido]phenyl}acetyl)piperidine-4-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

V013-6764

Molecular Formula

C33H36N2O4 (C33 H36 N2 O4)

Compound Name

ethyl 1-(2-{4-[(2E)-N-[(3-methylphenyl)methyl]-3-phenylprop-2-enamido]phenyl}acetyl)piperidine-4-carboxylate

IUPAC name

ethyl 1-(2-{4-[(2E)-N-[(3-methylphenyl)methyl]-3-phenylprop-2-enamido]phenyl}acetyl)piperidine-4-carboxylate

SMILES

CCOC(C(CC1)CCN1C(Cc(cc1)ccc1N(Cc1cc(C)ccc1)C(/C=C/c1ccccc1)=O)=O)=O

InChI

InChI=1S/C33H36N2O4/c1-3-39-33(38)29-18-20-34(21-19-29)32(37)23-27-12-15-30(16-13-27)35(24-28-11-7-8-25(2)22-28)31(36)17-14-26-9-5-4-6-10-26/h4-17,22,29H,3,18-21,23-24H2,1-2H3

InChI Key

MNGPNTDFWZCZJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

524.66

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

6.023

Distribution Coefficient, logD

6.023

Water Solubility, LogSw

-5.44

Polar Surface Area

51.937

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.30

V013-6764 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with V013-6764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-6764?
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What is the minimum amount of V013-6764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-6764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-6764
  • 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 V013-6764 available by request