0868-0171 Screening compound: 3-{4-chloro-3-[(2-nitrophenyl)carbamoyl]benzenesulfonamido}benzoic acid

0868-0171 Screening compound: 3-{4-chloro-3-[(2-nitrophenyl)carbamoyl]benzenesulfonamido}benzoic acid
0868-0171 Screening compound: 3-{4-chloro-3-[(2-nitrophenyl)carbamoyl]benzenesulfonamido}benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0868-0171
3-{4-chloro-3-[(2-nitrophenyl)carbamoyl]benzenesulfonamido}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

0868-0171

Molecular Formula

C20H14ClN3O7S (C20 H14 ClN3 O7 S)

Compound Name

3-{4-chloro-3-[(2-nitrophenyl)carbamoyl]benzenesulfonamido}benzoic acid

IUPAC name

3-{4-chloro-3-[(2-nitrophenyl)carbamoyl]benzenesulfonamido}benzoic acid

SMILES

[O-][N+](c(cccc1)c1NC(c(cc(cc1)S(Nc2cc(C(O)=O)ccc2)(=O)=O)c1Cl)=O)=O

InChI

InChI=1S/C20H14ClN3O7S/c21-16-9-8-14(32(30,31)23-13-5-3-4-12(10-13)20(26)27)11-15(16)19(25)22-17-6-1-2-7-18(17)24(28)29/h1-11,23H,(H,22,25)(H,26,27)

InChI Key

CAKQNVDMKAZFRN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00627904

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.87

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.513

Distribution Coefficient, logD

1.763

Water Solubility, LogSw

-4.55

Polar Surface Area

124.770

Acid Dissociation Constant (pKa)

4.65

Base Dissociation Constant (pKb)

-7.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0868-0171 in Drug Discovery

Included in Screening Libraries

Autophagy-Targeted Library (4564 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system

References: we are preparing a list of scientific research reports with 0868-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0868-0171?
Check Price and Availability of 0868-0171, 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 0868-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0868-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0868-0171
  • 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 0868-0171 available by request