V017-0921 Screening compound: N-[(4-methylphenyl)methyl]-N-[3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide

V017-0921 Screening compound: N-[(4-methylphenyl)methyl]-N-[3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide
V017-0921 Screening compound: N-[(4-methylphenyl)methyl]-N-[3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-0921
N-[(4-methylphenyl)methyl]-N-[3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide

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

V017-0921

Molecular Formula

C28H31N3O2 (C28 H31 N3 O2)

Compound Name

N-[(4-methylphenyl)methyl]-N-[3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide

IUPAC name

N-[(4-methylphenyl)methyl]-N-[3-({[(pyridin-4-yl)methyl]carbamoyl}methyl)phenyl]cyclopentanecarboxamide

SMILES

Cc1ccc(CN(C(C2CCCC2)=O)c2cc(CC(NCc3ccncc3)=O)ccc2)cc1

InChI

InChI=1S/C28H31N3O2/c1-21-9-11-23(12-10-21)20-31(28(33)25-6-2-3-7-25)26-8-4-5-24(17-26)18-27(32)30-19-22-13-15-29-16-14-22/h4-5,8-17,25H,2-3,6-7,18-20H2,1H3,(H,30,32)

InChI Key

XZQOJVNGZDUILZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19915679

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.273

Distribution Coefficient, logD

4.269

Water Solubility, LogSw

-4.25

Polar Surface Area

49.776

Acid Dissociation Constant (pKa)

13.02

Base Dissociation Constant (pKb)

5.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

V017-0921 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V017-0921 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-0921?
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What is the minimum amount of V017-0921 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-0921
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-0921
  • 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 V017-0921 available by request