8013-7361 Screening compound: 4-[(4-carboxy-2-nitrophenyl)disulfanyl]-3-nitrobenzoic acid

8013-7361 Screening compound: 4-[(4-carboxy-2-nitrophenyl)disulfanyl]-3-nitrobenzoic acid
8013-7361 Screening compound: 4-[(4-carboxy-2-nitrophenyl)disulfanyl]-3-nitrobenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-7361
4-[(4-carboxy-2-nitrophenyl)disulfanyl]-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

8013-7361

Molecular Formula

C14H8N2O8S2 (C14 H8 N2 O8 S2)

Compound Name

4-[(4-carboxy-2-nitrophenyl)disulfanyl]-3-nitrobenzoic acid

IUPAC name

4-[(4-carboxy-2-nitrophenyl)disulfanyl]-3-nitrobenzoic acid

SMILES

[O-][N+](c(cc(cc1)C(O)=O)c1SSc(ccc(C(O)=O)c1)c1[N+]([O-])=O)=O

InChI

InChI=1S/C14H8N2O8S2/c17-13(18)7-1-3-11(9(5-7)15(21)22)25-26-12-4-2-8(14(19)20)6-10(12)16(23)24/h1-6H,(H,17,18)(H,19,20)

InChI Key

AZVMFHXFQAGELP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01216862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.36

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

0.485

Water Solubility, LogSw

-4.47

Polar Surface Area

122.944

Acid Dissociation Constant (pKa)

3.58

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8013-7361 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-7361 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-7361?
Check Price and Availability of 8013-7361, 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 8013-7361 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-7361
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-7361
  • 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 8013-7361 available by request