V022-9104 Screening compound: 1-{(3-chlorobenzyl)[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]amino}-3-phenyl-2-propanol

V022-9104 Screening compound: 1-{(3-chlorobenzyl)[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]amino}-3-phenyl-2-propanol
V022-9104 Screening compound: 1-{(3-chlorobenzyl)[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]amino}-3-phenyl-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9104
1-{(3-chlorobenzyl)[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]amino}-3-phenyl-2-propanol

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

V022-9104

Molecular Formula

C26H27ClN2O2 (C26 H27 ClN2 O2)

Compound Name

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

IUPAC name

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

SMILES

OC(Cc1ccccc1)CN(CC(C1)ON=C1c1ccccc1)Cc1cccc(Cl)c1

InChI

InChI=1S/C26H27ClN2O2/c27-23-13-7-10-21(14-23)17-29(18-24(30)15-20-8-3-1-4-9-20)19-25-16-26(28-31-25)22-11-5-2-6-12-22/h1-14,24-25,30H,15-19H2

InChI Key

RRIOKYSTFVNGIJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869176

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

434.97

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.595

Distribution Coefficient, logD

5.586

Water Solubility, LogSw

-5.83

Polar Surface Area

43.134

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

5.75

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.92

V022-9104 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with V022-9104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9104?
Check Price and Availability of V022-9104, 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 V022-9104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9104
  • 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 V022-9104 available by request