K781-0942 Screening compound: 4-[benzyl(methyl)amino]-3-nitrobenzoic acid

K781-0942 Screening compound: 4-[benzyl(methyl)amino]-3-nitrobenzoic acid
K781-0942 Screening compound: 4-[benzyl(methyl)amino]-3-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-0942
4-[benzyl(methyl)amino]-3-nitrobenzoic acid

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

K781-0942

Molecular Formula

C15H14N2O4 (C15 H14 N2 O4)

Compound Name

4-[benzyl(methyl)amino]-3-nitrobenzoic acid

IUPAC name

4-[benzyl(methyl)amino]-3-nitrobenzoic acid

SMILES

CN(Cc1ccccc1)c(ccc(C(O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C15H14N2O4/c1-16(10-11-5-3-2-4-6-11)13-8-7-12(15(18)19)9-14(13)17(20)21/h2-9H,10H2,1H3,(H,18,19)

InChI Key

WAWOVJXYAOQHQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652944

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.29

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

0.519

Water Solubility, LogSw

-3.74

Polar Surface Area

64.381

Acid Dissociation Constant (pKa)

4.58

Base Dissociation Constant (pKb)

-3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

K781-0942 in Drug Discovery

Included in Screening Libraries

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 K781-0942 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-0942?
Check Price and Availability of K781-0942, 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 K781-0942 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-0942
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-0942
  • 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 K781-0942 available by request