0896-2421 Screening compound: N-(1-cyclopropylethyl)-4-nitro-N-phenylbenzamide

0896-2421 Screening compound: N-(1-cyclopropylethyl)-4-nitro-N-phenylbenzamide
0896-2421 Screening compound: N-(1-cyclopropylethyl)-4-nitro-N-phenylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0896-2421
N-(1-cyclopropylethyl)-4-nitro-N-phenylbenzamide

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

0896-2421

Molecular Formula

C18H18N2O3 (C18 H18 N2 O3)

Compound Name

N-(1-cyclopropylethyl)-4-nitro-N-phenylbenzamide

IUPAC name

N-(1-cyclopropylethyl)-4-nitro-N-phenylbenzamide

SMILES

CC(C1CC1)N(C(c(cc1)ccc1[N+]([O-])=O)=O)c1ccccc1

InChI

InChI=1S/C18H18N2O3/c1-13(14-7-8-14)19(16-5-3-2-4-6-16)18(21)15-9-11-17(12-10-15)20(22)23/h2-6,9-14H,7-8H2,1H3/t13-/m0/s1

InChI Key

NRVMYFBGYFOCNP-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD00546641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.760

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-4.06

Polar Surface Area

48.966

Acid Dissociation Constant (pKa)

25.33

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

0896-2421 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0896-2421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0896-2421?
Check Price and Availability of 0896-2421, 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 0896-2421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0896-2421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0896-2421
  • 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 0896-2421 available by request