8006-9152 Screening compound: 6-nitro-1,3-benzodioxole-5-carbaldehyde 5-[4-[(3-furylmethyl)amino]-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazone

8006-9152 Screening compound: 6-nitro-1,3-benzodioxole-5-carbaldehyde 5-[4-[(3-furylmethyl)amino]-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazone
8006-9152 Screening compound: 6-nitro-1,3-benzodioxole-5-carbaldehyde 5-[4-[(3-furylmethyl)amino]-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9152
6-nitro-1,3-benzodioxole-5-carbaldehyde 5-[4-[(3-furylmethyl)amino]-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazone

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

8006-9152

Molecular Formula

C23H20N8O6 (C23 H20 N8 O6)

Compound Name

6-nitro-1,3-benzodioxole-5-carbaldehyde 5-[4-[(3-furylmethyl)amino]-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]hydrazone

IUPAC name

N2-[(furan-3-yl)methyl]-N4-(4-methoxyphenyl)-6-[(2E)-2-[(6-nitro-2H-13-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-135-triazine-24-diamine

SMILES

COc(cc1)ccc1Nc1nc(NCc2cocc2)nc(N/N=C/c(cc2OCOc2c2)c2[N+]([O-])=O)n1

InChI

InChI=1S/C23H20N8O6/c1-34-17-4-2-16(3-5-17)26-22-27-21(24-10-14-6-7-35-12-14)28-23(29-22)30-25-11-15-8-19-20(37-13-36-19)9-18(15)31(32)33/h2-9,11-12H,10,13H2,1H3,(H3,24,26,27,28,29,30)

InChI Key

FCAQYGUKBNQOGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827350

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

504.46

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

5.126

Distribution Coefficient, logD

5.126

Water Solubility, LogSw

-5.15

Polar Surface Area

139.334

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

4.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.04

References: we are preparing a list of scientific research reports with 8006-9152 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9152?
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What is the minimum amount of 8006-9152 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9152
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9152
  • 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 8006-9152 available by request