V027-4500 Screening compound: N-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitrobenzamide

V027-4500 Screening compound: N-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitrobenzamide
V027-4500 Screening compound: N-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-4500
N-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-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

V027-4500

Molecular Formula

C17H12N4O6 (C17 H12 N4 O6)

Compound Name

N-{[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl}-3-nitrobenzamide

IUPAC name

N-{[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]methyl}-3-nitrobenzamide

SMILES

[O-][N+](c1cc(C(NCc2nc(-c(cc3)cc4c3OCO4)no2)=O)ccc1)=O

InChI

InChI=1S/C17H12N4O6/c22-17(11-2-1-3-12(6-11)21(23)24)18-8-15-19-16(20-27-15)10-4-5-13-14(7-10)26-9-25-13/h1-7H,8-9H2,(H,18,22)

InChI Key

HOSLFIVYAFBQEW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19781654

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

368.31

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.249

Distribution Coefficient, logD

3.249

Water Solubility, LogSw

-3.57

Polar Surface Area

106.492

Acid Dissociation Constant (pKa)

10.65

Base Dissociation Constant (pKb)

-4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

V027-4500 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 V027-4500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-4500?
Check Price and Availability of V027-4500, 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 V027-4500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-4500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-4500
  • 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 V027-4500 available by request