D349-2417 Screening compound: N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline

D349-2417 Screening compound: N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline
D349-2417 Screening compound: N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-2417
N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline

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

D349-2417

Molecular Formula

C20H20N4O3 (C20 H20 N4 O3)

Compound Name

N-cyclopentyl-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-nitroaniline

IUPAC name

N-cyclopentyl-4-[3-(3-methylphenyl)-124-oxadiazol-5-yl]-2-nitroaniline

SMILES

Cc1cccc(-c2noc(-c(cc3)cc([N+]([O-])=O)c3NC3CCCC3)n2)c1

InChI

InChI=1S/C20H20N4O3/c1-13-5-4-6-14(11-13)19-22-20(27-23-19)15-9-10-17(18(12-15)24(25)26)21-16-7-2-3-8-16/h4-6,9-12,16,21H,2-3,7-8H2,1H3

InChI Key

VKTJEEFHOGFAHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.802

Distribution Coefficient, logD

5.802

Water Solubility, LogSw

-5.59

Polar Surface Area

74.353

Acid Dissociation Constant (pKa)

19.68

Base Dissociation Constant (pKb)

-0.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

D349-2417 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D349-2417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-2417?
Check Price and Availability of D349-2417, 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 D349-2417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-2417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-2417
  • 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 D349-2417 available by request