V013-1163 Screening compound: ethyl 1-[2-(4-{N-[(3-methylphenyl)methyl]propanamido}phenyl)acetyl]piperidine-4-carboxylate

V013-1163 Screening compound: ethyl 1-[2-(4-{N-[(3-methylphenyl)methyl]propanamido}phenyl)acetyl]piperidine-4-carboxylate
V013-1163 Screening compound: ethyl 1-[2-(4-{N-[(3-methylphenyl)methyl]propanamido}phenyl)acetyl]piperidine-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-1163
ethyl 1-[2-(4-{N-[(3-methylphenyl)methyl]propanamido}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

V013-1163

Molecular Formula

C27H34N2O4 (C27 H34 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCC(N(Cc1cc(C)ccc1)c1ccc(CC(N(CC2)CCC2C(OCC)=O)=O)cc1)=O

InChI

InChI=1S/C27H34N2O4/c1-4-25(30)29(19-22-8-6-7-20(3)17-22)24-11-9-21(10-12-24)18-26(31)28-15-13-23(14-16-28)27(32)33-5-2/h6-12,17,23H,4-5,13-16,18-19H2,1-3H3

InChI Key

UCRCOOMCXKNALQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19904090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.542

Distribution Coefficient, logD

4.542

Water Solubility, LogSw

-4.30

Polar Surface Area

52.208

Acid Dissociation Constant (pKa)

18.21

Base Dissociation Constant (pKb)

0.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with V013-1163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-1163?
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What is the minimum amount of V013-1163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-1163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-1163
  • 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 V013-1163 available by request