V028-7142 Screening compound: 3-nitro-N-{1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide

V028-7142 Screening compound: 3-nitro-N-{1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide
V028-7142 Screening compound: 3-nitro-N-{1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-7142
3-nitro-N-{1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl}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

V028-7142

Molecular Formula

C20H20N4O7 (C20 H20 N4 O7)

Compound Name

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

IUPAC name

3-nitro-N-{1-[3-(345-trimethoxyphenyl)-124-oxadiazol-5-yl]ethyl}benzamide

SMILES

CC(c1nc(-c(cc2OC)cc(OC)c2OC)no1)NC(c1cccc([N+]([O-])=O)c1)=O

InChI

InChI=1S/C20H20N4O7/c1-11(21-19(25)12-6-5-7-14(8-12)24(26)27)20-22-18(23-31-20)13-9-15(28-2)17(30-4)16(10-13)29-3/h5-11H,1-4H3,(H,21,25)/t11-/m0/s1

InChI Key

QVTYXXYGTYVSTQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD19781416

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

428.4

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

3.197

Distribution Coefficient, logD

3.197

Water Solubility, LogSw

-3.59

Polar Surface Area

111.852

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-3.03

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

V028-7142 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with V028-7142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-7142?
Check Price and Availability of V028-7142, 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 V028-7142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-7142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-7142
  • 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 V028-7142 available by request