1995-0025 Screening compound: 6-[(2E)-2-{[3-(2,4-dinitrophenoxy)phenyl]methylidene}hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine

1995-0025 Screening compound: 6-[(2E)-2-{[3-(2,4-dinitrophenoxy)phenyl]methylidene}hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine
1995-0025 Screening compound: 6-[(2E)-2-{[3-(2,4-dinitrophenoxy)phenyl]methylidene}hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1995-0025
6-[(2E)-2-{[3-(2,4-dinitrophenoxy)phenyl]methylidene}hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-phenyl-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

1995-0025

Molecular Formula

C29H23N9O6 (C29 H23 N9 O6)

Compound Name

6-[(2E)-2-{[3-(2,4-dinitrophenoxy)phenyl]methylidene}hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-phenyl-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(2E)-2-{[3-(24-dinitrophenoxy)phenyl]methylidene}hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-phenyl-135-triazine-24-diamine

SMILES

COc(cc1)ccc1Nc1nc(Nc2ccccc2)nc(N/N=C/c2cccc(Oc(ccc([N+]([O-])=O)c3)c3[N+]([O-])=O)c2)n1

InChI

InChI=1S/C29H23N9O6/c1-43-23-13-10-21(11-14-23)32-28-33-27(31-20-7-3-2-4-8-20)34-29(35-28)36-30-18-19-6-5-9-24(16-19)44-26-15-12-22(37(39)40)17-25(26)38(41)42/h2-18H,1H3,(H3,31,32,33,34,35,36)

InChI Key

IKVUNSYBOFEBRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

593.56

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

15

Partition Coefficient, logP

7.331

Distribution Coefficient, logD

7.331

Water Solubility, LogSw

-5.93

Polar Surface Area

153.310

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.40

References: we are preparing a list of scientific research reports with 1995-0025 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1995-0025?
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What is the minimum amount of 1995-0025 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1995-0025
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1995-0025
  • 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 1995-0025 available by request