8008-4780 Screening compound: N-(4-chlorophenyl)-3,5-dinitro-2-[(4-sulfamoylphenyl)amino]benzamide

8008-4780 Screening compound: N-(4-chlorophenyl)-3,5-dinitro-2-[(4-sulfamoylphenyl)amino]benzamide
8008-4780 Screening compound: N-(4-chlorophenyl)-3,5-dinitro-2-[(4-sulfamoylphenyl)amino]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-4780
N-(4-chlorophenyl)-3,5-dinitro-2-[(4-sulfamoylphenyl)amino]benzamide

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

8008-4780

Molecular Formula

C19H14ClN5O7S (C19 H14 ClN5 O7 S)

Compound Name

N-(4-chlorophenyl)-3,5-dinitro-2-[(4-sulfamoylphenyl)amino]benzamide

IUPAC name

N-(4-chlorophenyl)-35-dinitro-2-[(4-sulfamoylphenyl)amino]benzamide

SMILES

NS(c(cc1)ccc1Nc(c([N+]([O-])=O)cc([N+]([O-])=O)c1)c1C(Nc(cc1)ccc1Cl)=O)(=O)=O

InChI

InChI=1S/C19H14ClN5O7S/c20-11-1-3-13(4-2-11)23-19(26)16-9-14(24(27)28)10-17(25(29)30)18(16)22-12-5-7-15(8-6-12)33(21,31)32/h1-10,22H,(H,23,26)(H2,21,31,32)

InChI Key

RWUBWYRSXXAWKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01304993

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.87

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

2.998

Distribution Coefficient, logD

2.958

Water Solubility, LogSw

-3.86

Polar Surface Area

147.912

Acid Dissociation Constant (pKa)

8.42

Base Dissociation Constant (pKb)

-4.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8008-4780 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8008-4780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-4780?
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What is the minimum amount of 8008-4780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-4780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-4780
  • 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 8008-4780 available by request