V029-9948 Screening compound: N-benzyl-N-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide

V029-9948 Screening compound: N-benzyl-N-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide
V029-9948 Screening compound: N-benzyl-N-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-9948
N-benzyl-N-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide

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

V029-9948

Molecular Formula

C26H24N4O6 (C26 H24 N4 O6)

Compound Name

N-benzyl-N-{2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitrobenzamide

IUPAC name

N-benzyl-N-{2-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]ethyl}-3-nitrobenzamide

SMILES

COc(ccc(-c1noc(CCN(Cc2ccccc2)C(c2cccc([N+]([O-])=O)c2)=O)n1)c1)c1OC

InChI

InChI=1S/C26H24N4O6/c1-34-22-12-11-19(16-23(22)35-2)25-27-24(36-28-25)13-14-29(17-18-7-4-3-5-8-18)26(31)20-9-6-10-21(15-20)30(32)33/h3-12,15-16H,13-14,17H2,1-2H3

InChI Key

CYSQRPZERKAHIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781666

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

488.5

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.307

Distribution Coefficient, logD

4.307

Water Solubility, LogSw

-4.47

Polar Surface Area

96.142

Acid Dissociation Constant (pKa)

27.38

Base Dissociation Constant (pKb)

-4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V029-9948 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-9948?
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What is the minimum amount of V029-9948 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-9948
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-9948
  • 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 V029-9948 available by request