0095-0178 Screening compound: 3,5-dichloro-4-nitroaniline

0095-0178 Screening compound: 3,5-dichloro-4-nitroaniline
0095-0178 Screening compound: 3,5-dichloro-4-nitroaniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 0095-0178
3,5-dichloro-4-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

0095-0178

Molecular Formula

C6H4Cl2N2O2 (C6 H4 Cl2 N2 O2)

Compound Name

3,5-dichloro-4-nitroaniline

IUPAC name

35-dichloro-4-nitroaniline

SMILES

Nc(cc1Cl)cc(Cl)c1[N+]([O-])=O

InChI

InChI=1S/C6H4Cl2N2O2/c7-4-1-3(9)2-5(8)6(4)10(11)12/h1-2H,9H2

InChI Key

FKDUHJWERVIMAL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00463521

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

207.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.769

Distribution Coefficient, logD

2.769

Water Solubility, LogSw

-3.31

Polar Surface Area

53.824

Acid Dissociation Constant (pKa)

15.72

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0095-0178 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0095-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0095-0178?
Check Price and Availability of 0095-0178, 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 0095-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0095-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0095-0178
  • 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 0095-0178 available by request