V008-4059 Screening compound: 1-{(3-chlorobenzyl)[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]amino}-5-hexen-2-ol

V008-4059 Screening compound: 1-{(3-chlorobenzyl)[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]amino}-5-hexen-2-ol
V008-4059 Screening compound: 1-{(3-chlorobenzyl)[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]amino}-5-hexen-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V008-4059
1-{(3-chlorobenzyl)[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]amino}-5-hexen-2-ol

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

V008-4059

Molecular Formula

C23H27ClN2O2 (C23 H27 ClN2 O2)

Compound Name

1-{(3-chlorobenzyl)[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]amino}-5-hexen-2-ol

IUPAC name

1-{[(3-chlorophenyl)methyl][(3-phenyl-45-dihydro-12-oxazol-5-yl)methyl]amino}hex-5-en-2-ol

SMILES

C=CCCC(CN(CC(C1)ON=C1c1ccccc1)Cc1cccc(Cl)c1)O

InChI

InChI=1S/C23H27ClN2O2/c1-2-3-12-21(27)16-26(15-18-8-7-11-20(24)13-18)17-22-14-23(25-28-22)19-9-5-4-6-10-19/h2,4-11,13,21-22,27H,1,3,12,14-17H2

InChI Key

JIFSTXDQNPYMDJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869539

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

398.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.069

Distribution Coefficient, logD

5.043

Water Solubility, LogSw

-5.17

Polar Surface Area

43.405

Acid Dissociation Constant (pKa)

16.82

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.78

References: we are preparing a list of scientific research reports with V008-4059 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V008-4059?
Check Price and Availability of V008-4059, 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 V008-4059 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V008-4059
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V008-4059
  • 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 V008-4059 available by request