V008-7396 Screening compound: 1-[{[5-(4-methylpiperazino)-3-phenyl-4-isoxazolyl]methyl}(propyl)amino]-2-butanol

V008-7396 Screening compound: 1-[{[5-(4-methylpiperazino)-3-phenyl-4-isoxazolyl]methyl}(propyl)amino]-2-butanol
V008-7396 Screening compound: 1-[{[5-(4-methylpiperazino)-3-phenyl-4-isoxazolyl]methyl}(propyl)amino]-2-butanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-7396
1-[{[5-(4-methylpiperazino)-3-phenyl-4-isoxazolyl]methyl}(propyl)amino]-2-butanol

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

V008-7396

Molecular Formula

C22H34N4O2 (C22 H34 N4 O2)

Compound Name

1-[{[5-(4-methylpiperazino)-3-phenyl-4-isoxazolyl]methyl}(propyl)amino]-2-butanol

IUPAC name

1-({[5-(4-methylpiperazin-1-yl)-3-phenyl-12-oxazol-4-yl]methyl}(propyl)amino)butan-2-ol

SMILES

CCCN(CC(CC)O)Cc1c(N2CCN(C)CC2)onc1-c1ccccc1

InChI

InChI=1S/C22H34N4O2/c1-4-11-25(16-19(27)5-2)17-20-21(18-9-7-6-8-10-18)23-28-22(20)26-14-12-24(3)13-15-26/h6-10,19,27H,4-5,11-17H2,1-3H3/t19-/m0/s1

InChI Key

IINZNVBKRSLACC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14488658

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

386.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.884

Distribution Coefficient, logD

-0.431

Water Solubility, LogSw

-2.99

Polar Surface Area

50.594

Acid Dissociation Constant (pKa)

16.77

Base Dissociation Constant (pKb)

10.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.09

V008-7396 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V008-7396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-7396?
Check Price and Availability of V008-7396, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V008-7396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-7396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-7396
  • 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 V008-7396 available by request