8005-6109 Screening compound: N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-6-[(2Z)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-1,3,5-triazine-2,4-diamine

8005-6109 Screening compound: N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-6-[(2Z)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-1,3,5-triazine-2,4-diamine
8005-6109 Screening compound: N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-6-[(2Z)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6109
N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-6-[(2Z)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-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

8005-6109

Molecular Formula

C27H21N9O6 (C27 H21 N9 O6)

Compound Name

N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-6-[(2Z)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-1,3,5-triazine-2,4-diamine

IUPAC name

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

SMILES

COc(cc1)ccc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C\c2ccc(-c3cccc([N+]([O-])=O)c3)o2)n1

InChI

InChI=1S/C27H21N9O6/c1-41-22-11-7-19(8-12-22)30-26-31-25(29-18-5-9-20(10-6-18)35(37)38)32-27(33-26)34-28-16-23-13-14-24(42-23)17-3-2-4-21(15-17)36(39)40/h2-16H,1H3,(H3,29,30,31,32,33,34)

InChI Key

BILFIDLUFGBHDD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00820837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

567.52

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

7.723

Distribution Coefficient, logD

7.722

Water Solubility, LogSw

-5.97

Polar Surface Area

154.346

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.70

8005-6109 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 8005-6109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6109?
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What is the minimum amount of 8005-6109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6109
  • 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 8005-6109 available by request