V013-9531 Screening compound: N-(3-methoxybenzyl)-N-[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]propanamide

V013-9531 Screening compound: N-(3-methoxybenzyl)-N-[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]propanamide
V013-9531 Screening compound: N-(3-methoxybenzyl)-N-[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-9531
N-(3-methoxybenzyl)-N-[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]propanamide

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

V013-9531

Molecular Formula

C21H24N2O3 (C21 H24 N2 O3)

Compound Name

N-(3-methoxybenzyl)-N-[(3-phenyl-4,5-dihydro-5-isoxazolyl)methyl]propanamide

IUPAC name

N-[(3-methoxyphenyl)methyl]-N-[(3-phenyl-45-dihydro-12-oxazol-5-yl)methyl]propanamide

SMILES

CCC(N(CC(C1)ON=C1c1ccccc1)Cc1cc(OC)ccc1)=O

InChI

InChI=1S/C21H24N2O3/c1-3-21(24)23(14-16-8-7-11-18(12-16)25-2)15-19-13-20(22-26-19)17-9-5-4-6-10-17/h4-12,19H,3,13-15H2,1-2H3/t19-/m1/s1

InChI Key

FXQQCSROYFBIRW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD19770845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-3.94

Polar Surface Area

46.302

Acid Dissociation Constant (pKa)

22.29

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with V013-9531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-9531?
Check Price and Availability of V013-9531, 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 V013-9531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-9531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-9531
  • 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 V013-9531 available by request