K781-2669 Screening compound: 4-{[(3-fluorophenyl)methyl]sulfanyl}-N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide

K781-2669 Screening compound: 4-{[(3-fluorophenyl)methyl]sulfanyl}-N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide
K781-2669 Screening compound: 4-{[(3-fluorophenyl)methyl]sulfanyl}-N'-(4-{[(4-methylphenyl)methyl]sulfanyl}-3-nitrobenzoyl)-3-nitrobenzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-2669
4-{[(3-fluorophenyl)methyl]sulfanyl}-N'-(4-{[(4-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

K781-2669

Molecular Formula

C29H23FN4O6S2 (C29 H23 FN4 O6 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc1ccc(CSc(ccc(C(NNC(c(cc2)cc([N+]([O-])=O)c2SCc2cc(F)ccc2)=O)=O)c2)c2[N+]([O-])=O)cc1

InChI

InChI=1S/C29H23FN4O6S2/c1-18-5-7-19(8-6-18)16-41-26-11-9-21(14-24(26)33(37)38)28(35)31-32-29(36)22-10-12-27(25(15-22)34(39)40)42-17-20-3-2-4-23(30)13-20/h2-15H,16-17H2,1H3,(H,31,35)(H,32,36)

InChI Key

HNVMKYGZJRZBFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02937027

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

606.66

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

6.522

Distribution Coefficient, logD

6.470

Water Solubility, LogSw

-5.57

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

10.30

K781-2669 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 K781-2669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-2669?
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What is the minimum amount of K781-2669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-2669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-2669
  • 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 K781-2669 available by request