K653-0173 Screening compound: 1-(3-nitrobenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

K653-0173 Screening compound: 1-(3-nitrobenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole
K653-0173 Screening compound: 1-(3-nitrobenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound K653-0173
1-(3-nitrobenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

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

K653-0173

Molecular Formula

C20H14N4O6S2 (C20 H14 N4 O6 S2)

Compound Name

1-(3-nitrobenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-1,3-benzodiazole

IUPAC name

1-(3-nitrobenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-1H-13-benzodiazole

SMILES

[O-][N+](c1cccc(CSc2nc(cccc3)c3n2S(c2cc([N+]([O-])=O)ccc2)(=O)=O)c1)=O

InChI

InChI=1S/C20H14N4O6S2/c25-23(26)15-6-3-5-14(11-15)13-31-20-21-18-9-1-2-10-19(18)22(20)32(29,30)17-8-4-7-16(12-17)24(27)28/h1-12H,13H2

InChI Key

AHDHZMOFJQAADP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02652608

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.49

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.908

Distribution Coefficient, logD

4.908

Water Solubility, LogSw

-5.02

Polar Surface Area

103.627

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

0.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

K653-0173 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K653-0173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K653-0173?
Check Price and Availability of K653-0173, 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 K653-0173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K653-0173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K653-0173
  • 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 K653-0173 available by request