V003-0961 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide

V003-0961 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide
V003-0961 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-0961
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N-{[5-(2,4-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl}-2H-1,3-benzodioxole-5-carboxamide

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

V003-0961

Molecular Formula

C28H24N2O8 (C28 H24 N2 O8)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C28H24N2O8/c1-32-20-5-6-21(24(12-20)33-2)25-11-19(29-38-25)14-30(13-17-3-7-22-26(9-17)36-15-34-22)28(31)18-4-8-23-27(10-18)37-16-35-23/h3-12H,13-16H2,1-2H3

InChI Key

JQLQLLBFXVWZSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19814769

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.401

Distribution Coefficient, logD

4.401

Water Solubility, LogSw

-4.38

Polar Surface Area

87.614

Acid Dissociation Constant (pKa)

27.37

Base Dissociation Constant (pKb)

-4.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

References: we are preparing a list of scientific research reports with V003-0961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-0961?
Check Price and Availability of V003-0961, 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 V003-0961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-0961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-0961
  • 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 V003-0961 available by request