V021-4156 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N,N-dipropyl-1,2-oxazole-3-carboxamide

V021-4156 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N,N-dipropyl-1,2-oxazole-3-carboxamide
V021-4156 Screening compound: 5-(2H-1,3-benzodioxol-5-yl)-N,N-dipropyl-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4156
5-(2H-1,3-benzodioxol-5-yl)-N,N-dipropyl-1,2-oxazole-3-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

V021-4156

Molecular Formula

C17H20N2O4 (C17 H20 N2 O4)

Compound Name

5-(2H-1,3-benzodioxol-5-yl)-N,N-dipropyl-1,2-oxazole-3-carboxamide

IUPAC name

5-(2H-13-benzodioxol-5-yl)-NN-dipropyl-12-oxazole-3-carboxamide

SMILES

CCCN(CCC)C(c1noc(-c(cc2)cc3c2OCO3)c1)=O

InChI

InChI=1S/C17H20N2O4/c1-3-7-19(8-4-2)17(20)13-10-15(23-18-13)12-5-6-14-16(9-12)22-11-21-14/h5-6,9-10H,3-4,7-8,11H2,1-2H3

InChI Key

OUBHEYSRUNFPLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19949395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.701

Distribution Coefficient, logD

3.701

Water Solubility, LogSw

-3.86

Polar Surface Area

55.328

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

V021-4156 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 V021-4156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4156?
Check Price and Availability of V021-4156, 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 V021-4156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4156
  • 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 V021-4156 available by request