0711-0033 Screening compound: 4-[4-METHYL-3-(PHENYLSULFAMOYL)BENZAMIDO]BENZOIC ACID

0711-0033 Screening compound: 4-[4-METHYL-3-(PHENYLSULFAMOYL)BENZAMIDO]BENZOIC ACID
0711-0033 Screening compound: 4-[4-METHYL-3-(PHENYLSULFAMOYL)BENZAMIDO]BENZOIC ACID alternative view

Chemical Structure Depiction of ChemDiv screening compound 0711-0033
4-[4-METHYL-3-(PHENYLSULFAMOYL)BENZAMIDO]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

0711-0033

Molecular Formula

C21H18N2O5S (C21 H18 N2 O5 S)

Compound Name

4-[4-METHYL-3-(PHENYLSULFAMOYL)BENZAMIDO]BENZOIC ACID

IUPAC name

n/a

SMILES

Cc(ccc(C(Nc(cc1)ccc1C(O)=O)=O)c1)c1S(Nc1ccccc1)(=O)=O

InChI

InChI=1S/C21H18N2O5S/c1-14-7-8-16(20(24)22-17-11-9-15(10-12-17)21(25)26)13-19(14)29(27,28)23-18-5-3-2-4-6-18/h2-13,23H,1H3,(H,22,24)(H,25,26)

InChI Key

HPCOVDFQPGGQFV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01535906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.980

Distribution Coefficient, logD

1.585

Water Solubility, LogSw

-4.04

Polar Surface Area

92.387

Acid Dissociation Constant (pKa)

5.01

Base Dissociation Constant (pKb)

-4.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

0711-0033 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Autophagy-Targeted Library (4564 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 0711-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0711-0033?
Check Price and Availability of 0711-0033, 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 0711-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0711-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0711-0033
  • 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 0711-0033 available by request