8004-4173 Screening compound: N2-(3,4-dimethylphenyl)-6-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

8004-4173 Screening compound: N2-(3,4-dimethylphenyl)-6-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
8004-4173 Screening compound: N2-(3,4-dimethylphenyl)-6-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4173
N2-(3,4-dimethylphenyl)-6-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]-N4-(4-nitrophenyl)-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

8004-4173

Molecular Formula

C24H21FN8O2 (C24 H21 FN8 O2)

Compound Name

N2-(3,4-dimethylphenyl)-6-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

N2-(34-dimethylphenyl)-6-[(2E)-2-[(3-fluorophenyl)methylidene]hydrazin-1-yl]-N4-(4-nitrophenyl)-135-triazine-24-diamine

SMILES

Cc(cc1)c(C)cc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C/c2cccc(F)c2)n1

InChI

InChI=1S/C24H21FN8O2/c1-15-6-7-20(12-16(15)2)28-23-29-22(27-19-8-10-21(11-9-19)33(34)35)30-24(31-23)32-26-14-17-4-3-5-18(25)13-17/h3-14H,1-2H3,(H3,27,28,29,30,31,32)

InChI Key

DKKWNSGWGCYCCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00788011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.530

Distribution Coefficient, logD

7.528

Water Solubility, LogSw

-5.92

Polar Surface Area

105.851

Acid Dissociation Constant (pKa)

13.14

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8004-4173 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8004-4173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4173?
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What is the minimum amount of 8004-4173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4173
  • 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 8004-4173 available by request