1220-0004 Screening compound: 2-nitro-4-(3-nitrobenzenesulfonyl)aniline

1220-0004 Screening compound: 2-nitro-4-(3-nitrobenzenesulfonyl)aniline
1220-0004 Screening compound: 2-nitro-4-(3-nitrobenzenesulfonyl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1220-0004
2-nitro-4-(3-nitrobenzenesulfonyl)aniline

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

1220-0004

Molecular Formula

C12H9N3O6S (C12 H9 N3 O6 S)

Compound Name

2-nitro-4-(3-nitrobenzenesulfonyl)aniline

IUPAC name

2-nitro-4-(3-nitrobenzenesulfonyl)aniline

SMILES

Nc(ccc(S(c1cc([N+]([O-])=O)ccc1)(=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C12H9N3O6S/c13-11-5-4-10(7-12(11)15(18)19)22(20,21)9-3-1-2-8(6-9)14(16)17/h1-7H,13H2

InChI Key

SJWPOMOUCHTYFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00496592

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.29

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.434

Distribution Coefficient, logD

2.434

Water Solubility, LogSw

-2.75

Polar Surface Area

116.297

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

-2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 1220-0004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1220-0004?
Check Price and Availability of 1220-0004, 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 1220-0004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1220-0004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1220-0004
  • 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 1220-0004 available by request