V003-9119 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide

V003-9119 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide
V003-9119 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-9119
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide

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

V003-9119

Molecular Formula

C27H24N2O6 (C27 H24 N2 O6)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-N-{[5-(24-dimethoxyphenyl)-12-oxazol-3-yl]methyl}benzamide

SMILES

COc(cc1)cc(OC)c1-c1cc(CN(Cc(cc2)cc3c2OCO3)C(c2ccccc2)=O)no1

InChI

InChI=1S/C27H24N2O6/c1-31-21-9-10-22(24(14-21)32-2)25-13-20(28-35-25)16-29(27(30)19-6-4-3-5-7-19)15-18-8-11-23-26(12-18)34-17-33-23/h3-14H,15-17H2,1-2H3

InChI Key

IOASFNTUXRMISZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19814811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.458

Distribution Coefficient, logD

4.458

Water Solubility, LogSw

-4.47

Polar Surface Area

70.498

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

-4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with V003-9119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-9119?
Check Price and Availability of V003-9119, 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 V003-9119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-9119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-9119
  • 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 V003-9119 available by request