0263-0401 Screening compound: 4-methyl-N-[2-(4-methylbenzenesulfonamido)-4,5-dinitrophenyl]benzene-1-sulfonamide

0263-0401 Screening compound: 4-methyl-N-[2-(4-methylbenzenesulfonamido)-4,5-dinitrophenyl]benzene-1-sulfonamide
0263-0401 Screening compound: 4-methyl-N-[2-(4-methylbenzenesulfonamido)-4,5-dinitrophenyl]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0263-0401
4-methyl-N-[2-(4-methylbenzenesulfonamido)-4,5-dinitrophenyl]benzene-1-sulfonamide

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

0263-0401

Molecular Formula

C20H18N4O8S2 (C20 H18 N4 O8 S2)

Compound Name

4-methyl-N-[2-(4-methylbenzenesulfonamido)-4,5-dinitrophenyl]benzene-1-sulfonamide

IUPAC name

4-methyl-N-[2-(4-methylbenzenesulfonamido)-45-dinitrophenyl]benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc(cc(c([N+]([O-])=O)c1)[N+]([O-])=O)c1NS(c1ccc(C)cc1)(=O)=O)(=O)=O

InChI

InChI=1S/C20H18N4O8S2/c1-13-3-7-15(8-4-13)33(29,30)21-17-11-19(23(25)26)20(24(27)28)12-18(17)22-34(31,32)16-9-5-14(2)6-10-16/h3-12,21-22H,1-2H3

InChI Key

LWLWGGMLEORAOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00327882

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.52

Hydrogen Bond Acceptors Count

16.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

4.428

Distribution Coefficient, logD

-2.122

Water Solubility, LogSw

-4.40

Polar Surface Area

146.303

Acid Dissociation Constant (pKa)

0.85

Base Dissociation Constant (pKb)

-16.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

0263-0401 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0263-0401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0263-0401?
Check Price and Availability of 0263-0401, 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 0263-0401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0263-0401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0263-0401
  • 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 0263-0401 available by request