8004-1515 Screening compound: 2-[(E)-(2-{4-[(3,4-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4-iodophenol

8004-1515 Screening compound: 2-[(E)-(2-{4-[(3,4-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4-iodophenol
8004-1515 Screening compound: 2-[(E)-(2-{4-[(3,4-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4-iodophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-1515
2-[(E)-(2-{4-[(3,4-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4-iodophenol

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

8004-1515

Molecular Formula

C24H21IN8O3 (C24 H21 IN8 O3)

Compound Name

2-[(E)-(2-{4-[(3,4-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-4-iodophenol

IUPAC name

2-[(E)-(2-{4-[(34-dimethylphenyl)amino]-6-[(4-nitrophenyl)amino]-135-triazin-2-yl}hydrazin-1-ylidene)methyl]-4-iodophenol

SMILES

Cc(cc1)c(C)cc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C/c(cc(cc2)I)c2O)n1

InChI

InChI=1S/C24H21IN8O3/c1-14-3-5-19(11-15(14)2)28-23-29-22(27-18-6-8-20(9-7-18)33(35)36)30-24(31-23)32-26-13-16-12-17(25)4-10-21(16)34/h3-13,34H,1-2H3,(H3,27,28,29,30,31,32)

InChI Key

AKJWDEMTRQRMSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

596.39

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

8.835

Distribution Coefficient, logD

8.825

Water Solubility, LogSw

-5.66

Polar Surface Area

122.399

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

4.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

8004-1515 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 8004-1515 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-1515?
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What is the minimum amount of 8004-1515 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-1515
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-1515
  • 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 8004-1515 available by request