0478-0632 Screening compound: 4-nitro-N1-phenylbenzene-1,2-diamine

0478-0632 Screening compound: 4-nitro-N1-phenylbenzene-1,2-diamine
0478-0632 Screening compound: 4-nitro-N1-phenylbenzene-1,2-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 0478-0632
4-nitro-N1-phenylbenzene-1,2-diamine

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

0478-0632

Molecular Formula

C12H11N3O2 (C12 H11 N3 O2)

Compound Name

4-nitro-N1-phenylbenzene-1,2-diamine

IUPAC name

4-nitro-N1-phenylbenzene-12-diamine

SMILES

Nc(cc(cc1)[N+]([O-])=O)c1Nc1ccccc1

InChI

InChI=1S/C12H11N3O2/c13-11-8-10(15(16)17)6-7-12(11)14-9-4-2-1-3-5-9/h1-8,14H,13H2

InChI Key

PQMGRVXQAFKVMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00234791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

229.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.102

Distribution Coefficient, logD

3.102

Water Solubility, LogSw

-3.47

Polar Surface Area

61.931

Acid Dissociation Constant (pKa)

16.88

Base Dissociation Constant (pKb)

3.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0478-0632 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0478-0632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0478-0632?
Check Price and Availability of 0478-0632, 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 0478-0632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0478-0632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0478-0632
  • 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 0478-0632 available by request