8002-9166 Screening compound: 4-(dimethylamino)benzaldehyde 1-[4-(4-nitroanilino)-6-(2-toluidino)-1,3,5-triazin-2-yl]hydrazone

8002-9166 Screening compound: 4-(dimethylamino)benzaldehyde 1-[4-(4-nitroanilino)-6-(2-toluidino)-1,3,5-triazin-2-yl]hydrazone
8002-9166 Screening compound: 4-(dimethylamino)benzaldehyde 1-[4-(4-nitroanilino)-6-(2-toluidino)-1,3,5-triazin-2-yl]hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9166
4-(dimethylamino)benzaldehyde 1-[4-(4-nitroanilino)-6-(2-toluidino)-1,3,5-triazin-2-yl]hydrazone

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

8002-9166

Molecular Formula

C25H25N9O2 (C25 H25 N9 O2)

Compound Name

4-(dimethylamino)benzaldehyde 1-[4-(4-nitroanilino)-6-(2-toluidino)-1,3,5-triazin-2-yl]hydrazone

IUPAC name

6-[(2E)-2-{[4-(dimethylamino)phenyl]methylidene}hydrazin-1-yl]-N2-(2-methylphenyl)-N4-(4-nitrophenyl)-135-triazine-24-diamine

SMILES

Cc(cccc1)c1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C/c(cc2)ccc2N(C)C)n1

InChI

InChI=1S/C25H25N9O2/c1-17-6-4-5-7-22(17)28-24-29-23(27-19-10-14-21(15-11-19)34(35)36)30-25(31-24)32-26-16-18-8-12-20(13-9-18)33(2)3/h4-16H,1-3H3,(H3,27,28,29,30,31,32)

InChI Key

RGOFQHKLKONITN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313515

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.468

Distribution Coefficient, logD

6.467

Water Solubility, LogSw

-5.95

Polar Surface Area

107.958

Acid Dissociation Constant (pKa)

14.08

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

8002-9166 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 8002-9166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9166?
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What is the minimum amount of 8002-9166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9166
  • 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 8002-9166 available by request