8003-6534 Screening compound: N2-benzyl-6-[(2E)-2-[(3,4-diethoxyphenyl)methylidene]hydrazin-1-yl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine

8003-6534 Screening compound: N2-benzyl-6-[(2E)-2-[(3,4-diethoxyphenyl)methylidene]hydrazin-1-yl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine
8003-6534 Screening compound: N2-benzyl-6-[(2E)-2-[(3,4-diethoxyphenyl)methylidene]hydrazin-1-yl]-N4-(4-nitrophenyl)-1,3,5-triazine-2,4-diamine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-6534
N2-benzyl-6-[(2E)-2-[(3,4-diethoxyphenyl)methylidene]hydrazin-1-yl]-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

8003-6534

Molecular Formula

C27H28N8O4 (C27 H28 N8 O4)

Compound Name

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

IUPAC name

N2-benzyl-6-[(2E)-2-[(34-diethoxyphenyl)methylidene]hydrazin-1-yl]-N4-(4-nitrophenyl)-135-triazine-24-diamine

SMILES

CCOc(ccc(/C=N/Nc1nc(NCc2ccccc2)nc(Nc(cc2)ccc2[N+]([O-])=O)n1)c1)c1OCC

InChI

InChI=1S/C27H28N8O4/c1-3-38-23-15-10-20(16-24(23)39-4-2)18-29-34-27-32-25(28-17-19-8-6-5-7-9-19)31-26(33-27)30-21-11-13-22(14-12-21)35(36)37/h5-16,18H,3-4,17H2,1-2H3,(H3,28,30,31,32,33,34)

InChI Key

HCFGRUCIMAMIAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00735727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

528.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

6.147

Distribution Coefficient, logD

6.147

Water Solubility, LogSw

-5.64

Polar Surface Area

121.593

Acid Dissociation Constant (pKa)

13.61

Base Dissociation Constant (pKb)

4.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

References: we are preparing a list of scientific research reports with 8003-6534 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-6534?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-6534
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-6534
  • 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 8003-6534 available by request