V016-8420 Screening compound: N-(3-methylbutyl)-N-{[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}cyclopentanecarboxamide

V016-8420 Screening compound: N-(3-methylbutyl)-N-{[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}cyclopentanecarboxamide
V016-8420 Screening compound: N-(3-methylbutyl)-N-{[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-8420
N-(3-methylbutyl)-N-{[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}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

V016-8420

Molecular Formula

C26H38N4O2 (C26 H38 N4 O2)

Compound Name

N-(3-methylbutyl)-N-{[5-(4-methylpiperazin-1-yl)-3-phenyl-1,2-oxazol-4-yl]methyl}cyclopentanecarboxamide

IUPAC name

N-(3-methylbutyl)-N-{[5-(4-methylpiperazin-1-yl)-3-phenyl-12-oxazol-4-yl]methyl}cyclopentanecarboxamide

SMILES

CC(C)CCN(Cc1c(N2CCN(C)CC2)onc1-c1ccccc1)C(C1CCCC1)=O

InChI

InChI=1S/C26H38N4O2/c1-20(2)13-14-30(25(31)22-11-7-8-12-22)19-23-24(21-9-5-4-6-10-21)27-32-26(23)29-17-15-28(3)16-18-29/h4-6,9-10,20,22H,7-8,11-19H2,1-3H3

InChI Key

KCMLVBMPRDTQIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19883750

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

438.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.737

Distribution Coefficient, logD

3.358

Water Solubility, LogSw

-4.34

Polar Surface Area

46.761

Acid Dissociation Constant (pKa)

22.30

Base Dissociation Constant (pKb)

8.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.50

V016-8420 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with V016-8420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-8420?
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What is the minimum amount of V016-8420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-8420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-8420
  • 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 V016-8420 available by request