8002-7175 Screening compound: 3-nitro-2-[(4-nitroanilino)carbonyl]benzoic acid

8002-7175 Screening compound: 3-nitro-2-[(4-nitroanilino)carbonyl]benzoic acid
8002-7175 Screening compound: 3-nitro-2-[(4-nitroanilino)carbonyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7175
3-nitro-2-[(4-nitroanilino)carbonyl]benzoic 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

8002-7175

Molecular Formula

C14H9N3O7 (C14 H9 N3 O7)

Compound Name

3-nitro-2-[(4-nitroanilino)carbonyl]benzoic acid

IUPAC name

n/a

SMILES

[O-][N+](c(cc1)ccc1NC(c(c(C(O)=O)ccc1)c1[N+]([O-])=O)=O)=O

InChI

InChI=1S/C14H9N3O7/c18-13(15-8-4-6-9(7-5-8)16(21)22)12-10(14(19)20)2-1-3-11(12)17(23)24/h1-7H,(H,15,18)(H,19,20)

InChI Key

WCFIMUCZBGRZPI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.24

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.484

Distribution Coefficient, logD

-2.384

Water Solubility, LogSw

-2.90

Polar Surface Area

118.200

Acid Dissociation Constant (pKa)

2.53

Base Dissociation Constant (pKb)

-7.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8002-7175 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7175?
Check Price and Availability of 8002-7175, 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 8002-7175 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7175
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7175
  • 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 8002-7175 available by request