V017-8700 Screening compound: N-[2-(2-methylbenzamido)cyclohexyl]-1-propanoylpiperidine-3-carboxamide

V017-8700 Screening compound: N-[2-(2-methylbenzamido)cyclohexyl]-1-propanoylpiperidine-3-carboxamide
V017-8700 Screening compound: N-[2-(2-methylbenzamido)cyclohexyl]-1-propanoylpiperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8700
N-[2-(2-methylbenzamido)cyclohexyl]-1-propanoylpiperidine-3-carboxamide

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

V017-8700

Molecular Formula

C23H33N3O3 (C23 H33 N3 O3)

Compound Name

N-[2-(2-methylbenzamido)cyclohexyl]-1-propanoylpiperidine-3-carboxamide

IUPAC name

N-[(1R2R)-2-(2-methylbenzamido)cyclohexyl]-1-propanoylpiperidine-3-carboxamide

SMILES

CCC(N(CCC1)CC1C(N[C@@H](CCCC1)[C@H]1NC(c1c(C)cccc1)=O)=O)=O

InChI

InChI=1S/C23H33N3O3/c1-3-21(27)26-14-8-10-17(15-26)22(28)24-19-12-6-7-13-20(19)25-23(29)18-11-5-4-9-16(18)2/h4-5,9,11,17,19-20H,3,6-8,10,12-15H2,1-2H3,(H,24,28)(H,25,29)/t17?,19-,20-/m0/s1

InChI Key

ZGMZNLCGAZITCK-MFUMQWNRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.616

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-3.01

Polar Surface Area

65.430

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

60.87

V017-8700 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with V017-8700 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8700?
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What is the minimum amount of V017-8700 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8700
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8700
  • 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 V017-8700 available by request