Y031-7908 Screening compound: 4-chloro-3-nitro-N-phenethylbenzamide

Y031-7908 Screening compound: 4-chloro-3-nitro-N-phenethylbenzamide
Y031-7908 Screening compound: 4-chloro-3-nitro-N-phenethylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7908
4-chloro-3-nitro-N-phenethylbenzamide

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

Y031-7908

Molecular Formula

C15H13ClN2O3 (C15 H13 ClN2 O3)

Compound Name

4-chloro-3-nitro-N-phenethylbenzamide

IUPAC name

4-chloro-3-nitro-N-(2-phenylethyl)benzamide

SMILES

[O-][N+](c(cc(cc1)C(NCCc2ccccc2)=O)c1Cl)=O

InChI

InChI=1S/C15H13ClN2O3/c16-13-7-6-12(10-14(13)18(20)21)15(19)17-9-8-11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,17,19)

InChI Key

XOFHJGXVFIWQSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01076996

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.73

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.835

Distribution Coefficient, logD

2.835

Water Solubility, LogSw

-3.62

Polar Surface Area

57.574

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

-4.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y031-7908 in Drug Discovery

Included in Screening Libraries

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 Y031-7908 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7908?
Check Price and Availability of Y031-7908, 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 Y031-7908 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7908
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7908
  • 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 Y031-7908 available by request