V030-4050 Screening compound: N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(2-phenylethyl)benzamide

V030-4050 Screening compound: N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(2-phenylethyl)benzamide
V030-4050 Screening compound: N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(2-phenylethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4050
N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(2-phenylethyl)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

V030-4050

Molecular Formula

C26H24N4O4 (C26 H24 N4 O4)

Compound Name

N-{2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl}-3-nitro-N-(2-phenylethyl)benzamide

IUPAC name

N-{2-[3-(3-methylphenyl)-124-oxadiazol-5-yl]ethyl}-3-nitro-N-(2-phenylethyl)benzamide

SMILES

Cc1cccc(-c2noc(CCN(CCc3ccccc3)C(c3cccc([N+]([O-])=O)c3)=O)n2)c1

InChI

InChI=1S/C26H24N4O4/c1-19-7-5-10-21(17-19)25-27-24(34-28-25)14-16-29(15-13-20-8-3-2-4-9-20)26(31)22-11-6-12-23(18-22)30(32)33/h2-12,17-18H,13-16H2,1H3

InChI Key

COJDTKGSWKWBQZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20493447

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

456.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.270

Distribution Coefficient, logD

5.270

Water Solubility, LogSw

-5.33

Polar Surface Area

80.859

Acid Dissociation Constant (pKa)

26.28

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

References: we are preparing a list of scientific research reports with V030-4050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4050?
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What is the minimum amount of V030-4050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4050
  • 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 V030-4050 available by request