8001-0673 Screening compound: 6-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

8001-0673 Screening compound: 6-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
8001-0673 Screening compound: 6-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8001-0673
6-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-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

8001-0673

Molecular Formula

C24H20N8O5 (C24 H20 N8 O5)

Compound Name

6-[(2E)-2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

IUPAC name

6-[(2E)-2-[(2H-13-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N2-(4-methoxyphenyl)-N4-(4-nitrophenyl)-135-triazine-24-diamine

SMILES

COc(cc1)ccc1Nc1nc(Nc(cc2)ccc2[N+]([O-])=O)nc(N/N=C/c(cc2)cc3c2OCO3)n1

InChI

InChI=1S/C24H20N8O5/c1-35-19-9-5-17(6-10-19)27-23-28-22(26-16-3-7-18(8-4-16)32(33)34)29-24(30-23)31-25-13-15-2-11-20-21(12-15)37-14-36-20/h2-13H,14H2,1H3,(H3,26,27,28,29,30,31)

InChI Key

QOQBGWPSSFTIMW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00313505

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

6.399

Distribution Coefficient, logD

6.399

Water Solubility, LogSw

-5.80

Polar Surface Area

130.510

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

4.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

References: we are preparing a list of scientific research reports with 8001-0673 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8001-0673?
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What is the minimum amount of 8001-0673 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8001-0673
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8001-0673
  • 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 8001-0673 available by request