8002-9108 Screening compound: 4-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-nitrophenol

8002-9108 Screening compound: 4-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-nitrophenol
8002-9108 Screening compound: 4-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-9108
4-[(E)-(2-{4-[(4-methoxyphenyl)amino]-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl}hydrazin-1-ylidene)methyl]-2-nitrophenol

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

8002-9108

Molecular Formula

C23H19N9O6 (C23 H19 N9 O6)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C/c(cc2)cc([N+]([O-])=O)c2O)n1

InChI

InChI=1S/C23H19N9O6/c1-38-18-9-5-16(6-10-18)26-22-27-21(25-15-3-7-17(8-4-15)31(34)35)28-23(29-22)30-24-13-14-2-11-20(33)19(12-14)32(36)37/h2-13,33H,1H3,(H3,25,26,27,28,29,30)

InChI Key

OYNMGNZBTKBZNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

517.46

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

6.304

Distribution Coefficient, logD

5.685

Water Solubility, LogSw

-5.59

Polar Surface Area

163.023

Acid Dissociation Constant (pKa)

6.90

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.30

References: we are preparing a list of scientific research reports with 8002-9108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-9108?
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What is the minimum amount of 8002-9108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-9108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-9108
  • 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 8002-9108 available by request