0384-0023 Screening compound: 1-(4-methylbenzenesulfonyl)-4-nitrobenzene

0384-0023 Screening compound: 1-(4-methylbenzenesulfonyl)-4-nitrobenzene
0384-0023 Screening compound: 1-(4-methylbenzenesulfonyl)-4-nitrobenzene alternative view

Chemical Structure Depiction of ChemDiv screening compound 0384-0023
1-(4-methylbenzenesulfonyl)-4-nitrobenzene

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

0384-0023

Molecular Formula

C13H11NO4S (C13 H11 NO4 S)

Compound Name

1-(4-methylbenzenesulfonyl)-4-nitrobenzene

IUPAC name

1-(4-methylbenzenesulfonyl)-4-nitrobenzene

SMILES

Cc(cc1)ccc1S(c(cc1)ccc1[N+]([O-])=O)(=O)=O

InChI

InChI=1S/C13H11NO4S/c1-10-2-6-12(7-3-10)19(17,18)13-8-4-11(5-9-13)14(15)16/h2-9H,1H3

InChI Key

RVHDYDZMDKCAOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00024705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.536

Distribution Coefficient, logD

3.536

Water Solubility, LogSw

-3.74

Polar Surface Area

63.121

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

0384-0023 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Frequent Hitters Library (7624 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0384-0023 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0384-0023?
Check Price and Availability of 0384-0023, 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 0384-0023 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0384-0023
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0384-0023
  • 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 0384-0023 available by request