0478-0662 Screening compound: 4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzene-1-sulfonamide

0478-0662 Screening compound: 4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzene-1-sulfonamide
0478-0662 Screening compound: 4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 0478-0662
4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)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

0478-0662

Molecular Formula

C14H11N3O4S2 (C14 H11 N3 O4 S2)

Compound Name

4-methyl-N-(6-nitro-1,3-benzothiazol-2-yl)benzene-1-sulfonamide

IUPAC name

4-methyl-N-(6-nitro-13-benzothiazol-2-yl)benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc1nc(ccc([N+]([O-])=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C14H11N3O4S2/c1-9-2-5-11(6-3-9)23(20,21)16-14-15-12-7-4-10(17(18)19)8-13(12)22-14/h2-8H,1H3,(H,15,16)

InChI Key

MMDQOWJHPOTBNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00392241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.913

Distribution Coefficient, logD

3.529

Water Solubility, LogSw

-3.93

Polar Surface Area

84.031

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-3.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

0478-0662 in Drug Discovery

Included in Screening Libraries

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Others
  • Kinases

References: we are preparing a list of scientific research reports with 0478-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0478-0662?
Check Price and Availability of 0478-0662, 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 0478-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0478-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0478-0662
  • 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 0478-0662 available by request