K781-2709 Screening compound: 4-{[(4-methylphenyl)methyl]sulfanyl}-N'-(4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide

K781-2709 Screening compound: 4-{[(4-methylphenyl)methyl]sulfanyl}-N'-(4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide
K781-2709 Screening compound: 4-{[(4-methylphenyl)methyl]sulfanyl}-N'-(4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2709
4-{[(4-methylphenyl)methyl]sulfanyl}-N'-(4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide

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

K781-2709

Molecular Formula

C30H26N4O6S2 (C30 H26 N4 O6 S2)

Compound Name

4-{[(4-methylphenyl)methyl]sulfanyl}-N'-(4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide

IUPAC name

4-{[(4-methylphenyl)methyl]sulfanyl}-N'-(4-{[(2-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide

SMILES

Cc1ccc(CSc(ccc(C(NNC(c(cc2)cc([N+]([O-])=O)c2SCc2c(C)cccc2)=O)=O)c2)c2[N+]([O-])=O)cc1

InChI

InChI=1S/C30H26N4O6S2/c1-19-7-9-21(10-8-19)17-41-27-13-11-22(15-25(27)33(37)38)29(35)31-32-30(36)23-12-14-28(26(16-23)34(39)40)42-18-24-6-4-3-5-20(24)2/h3-16H,17-18H2,1-2H3,(H,31,35)(H,32,36)

InChI Key

GVEPMMJSKMWADU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02937044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

602.69

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.200

Distribution Coefficient, logD

7.148

Water Solubility, LogSw

-5.52

Polar Surface Area

117.053

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-2.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.30

K781-2709 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K781-2709 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2709?
Check Price and Availability of K781-2709, 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 K781-2709 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2709
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2709
  • 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 K781-2709 available by request