8003-6595 Screening compound: 6-[(2E)-2-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2-(4-nitrophenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine

8003-6595 Screening compound: 6-[(2E)-2-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2-(4-nitrophenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine
8003-6595 Screening compound: 6-[(2E)-2-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2-(4-nitrophenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6595
6-[(2E)-2-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2-(4-nitrophenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine

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

8003-6595

Molecular Formula

C26H18ClFN8O3 (C26 H18 ClFN8 O3)

Compound Name

6-[(2E)-2-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2-(4-nitrophenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(2E)-2-{[5-(3-chloro-4-fluorophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-N2-(4-nitrophenyl)-N4-phenyl-135-triazine-24-diamine

SMILES

[O-][N+](c(cc1)ccc1Nc1nc(Nc2ccccc2)nc(N/N=C/c2ccc(-c(cc3)cc(Cl)c3F)o2)n1)=O

InChI

InChI=1S/C26H18ClFN8O3/c27-21-14-16(6-12-22(21)28)23-13-11-20(39-23)15-29-35-26-33-24(30-17-4-2-1-3-5-17)32-25(34-26)31-18-7-9-19(10-8-18)36(37)38/h1-15H,(H3,30,31,32,33,34,35)

InChI Key

XEJJACOEFDHQKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735776

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.93

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

8.143

Distribution Coefficient, logD

8.142

Water Solubility, LogSw

-7.01

Polar Surface Area

113.421

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8003-6595 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 8003-6595 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6595?
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What is the minimum amount of 8003-6595 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6595
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6595
  • 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 8003-6595 available by request