8005-9726 Screening compound: N4-(3-chloro-4-methylphenyl)-N2,N2-diethyl-6-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-1,3,5-triazine-2,4-diamine

8005-9726 Screening compound: N4-(3-chloro-4-methylphenyl)-N2,N2-diethyl-6-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-1,3,5-triazine-2,4-diamine
8005-9726 Screening compound: N4-(3-chloro-4-methylphenyl)-N2,N2-diethyl-6-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9726
N4-(3-chloro-4-methylphenyl)-N2,N2-diethyl-6-[(2Z)-2-[(4-nitrophenyl)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

8005-9726

Molecular Formula

C21H23ClN8O2 (C21 H23 ClN8 O2)

Compound Name

N4-(3-chloro-4-methylphenyl)-N2,N2-diethyl-6-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-1,3,5-triazine-2,4-diamine

IUPAC name

N4-(3-chloro-4-methylphenyl)-N2N2-diethyl-6-[(2Z)-2-[(4-nitrophenyl)methylidene]hydrazin-1-yl]-135-triazine-24-diamine

SMILES

CCN(CC)c1nc(N/N=C\c(cc2)ccc2[N+]([O-])=O)nc(Nc2cc(Cl)c(C)cc2)n1

InChI

InChI=1S/C21H23ClN8O2/c1-4-29(5-2)21-26-19(24-16-9-6-14(3)18(22)12-16)25-20(27-21)28-23-13-15-7-10-17(11-8-15)30(31)32/h6-13H,4-5H2,1-3H3,(H2,24,25,26,27,28)

InChI Key

KTNRWVDYOPNRHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00288908

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.92

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

7.316

Distribution Coefficient, logD

7.315

Water Solubility, LogSw

-6.70

Polar Surface Area

97.467

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

8005-9726 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8005-9726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9726?
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What is the minimum amount of 8005-9726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9726
  • 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 8005-9726 available by request