0868-0152 Screening compound: 3-[4-({4-[(3-carboxyphenyl)sulfamoyl]phenyl}methyl)benzenesulfonamido]benzoic acid

0868-0152 Screening compound: 3-[4-({4-[(3-carboxyphenyl)sulfamoyl]phenyl}methyl)benzenesulfonamido]benzoic acid
0868-0152 Screening compound: 3-[4-({4-[(3-carboxyphenyl)sulfamoyl]phenyl}methyl)benzenesulfonamido]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 0868-0152
3-[4-({4-[(3-carboxyphenyl)sulfamoyl]phenyl}methyl)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

0868-0152

Molecular Formula

C27H22N2O8S2 (C27 H22 N2 O8 S2)

Compound Name

3-[4-({4-[(3-carboxyphenyl)sulfamoyl]phenyl}methyl)benzenesulfonamido]benzoic acid

IUPAC name

3-[4-({4-[(3-carboxyphenyl)sulfamoyl]phenyl}methyl)benzenesulfonamido]benzoic acid

SMILES

OC(c1cccc(NS(c2ccc(Cc(cc3)ccc3S(Nc3cc(C(O)=O)ccc3)(=O)=O)cc2)(=O)=O)c1)=O

InChI

InChI=1S/C27H22N2O8S2/c30-26(31)20-3-1-5-22(16-20)28-38(34,35)24-11-7-18(8-12-24)15-19-9-13-25(14-10-19)39(36,37)29-23-6-2-4-21(17-23)27(32)33/h1-14,16-17,28-29H,15H2,(H,30,31)(H,32,33)

InChI Key

MLWYLRKKJKFCAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00627862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.61

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

5.596

Distribution Coefficient, logD

2.846

Water Solubility, LogSw

-5.73

Polar Surface Area

138.082

Acid Dissociation Constant (pKa)

4.65

Base Dissociation Constant (pKb)

-10.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

0868-0152 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 0868-0152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0868-0152?
Check Price and Availability of 0868-0152, 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 0868-0152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0868-0152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0868-0152
  • 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 0868-0152 available by request