8003-6563 Screening compound: N2-(3,4-dimethylphenyl)-N4-(4-nitrophenyl)-6-[(2Z)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-1,3,5-triazine-2,4-diamine

8003-6563 Screening compound: N2-(3,4-dimethylphenyl)-N4-(4-nitrophenyl)-6-[(2Z)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-1,3,5-triazine-2,4-diamine
8003-6563 Screening compound: N2-(3,4-dimethylphenyl)-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 8003-6563
N2-(3,4-dimethylphenyl)-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

8003-6563

Molecular Formula

C28H23N9O5 (C28 H23 N9 O5)

Compound Name

N2-(3,4-dimethylphenyl)-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-(34-dimethylphenyl)-N4-(4-nitrophenyl)-6-[(2Z)-2-{[5-(3-nitrophenyl)furan-2-yl]methylidene}hydrazin-1-yl]-135-triazine-24-diamine

SMILES

Cc(cc1)c(C)cc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C\c2ccc(-c3cccc([N+]([O-])=O)c3)o2)n1

InChI

InChI=1S/C28H23N9O5/c1-17-6-7-21(14-18(17)2)31-27-32-26(30-20-8-10-22(11-9-20)36(38)39)33-28(34-27)35-29-16-24-12-13-25(42-24)19-4-3-5-23(15-19)37(40)41/h3-16H,1-2H3,(H3,30,31,32,33,34,35)

InChI Key

XNSHZTOFXPEKNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735750

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.55

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

8.728

Distribution Coefficient, logD

8.725

Water Solubility, LogSw

-5.94

Polar Surface Area

146.802

Acid Dissociation Constant (pKa)

15.08

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

References: we are preparing a list of scientific research reports with 8003-6563 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6563?
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What is the minimum amount of 8003-6563 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6563
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6563
  • 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 8003-6563 available by request