8005-6894 Screening compound: 4-[(2Z)-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-phenyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

8005-6894 Screening compound: 4-[(2Z)-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-phenyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine
8005-6894 Screening compound: 4-[(2Z)-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-phenyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-6894
4-[(2Z)-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-phenyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

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

8005-6894

Molecular Formula

C21H20N8O4 (C21 H20 N8 O4)

Compound Name

4-[(2Z)-2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-phenyl-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-amine

IUPAC name

4-[(2Z)-2-[(6-nitro-2H-13-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-N-phenyl-6-(pyrrolidin-1-yl)-135-triazin-2-amine

SMILES

[O-][N+](c1c(/C=N\Nc2nc(N3CCCC3)nc(Nc3ccccc3)n2)cc2OCOc2c1)=O

InChI

InChI=1S/C21H20N8O4/c30-29(31)16-11-18-17(32-13-33-18)10-14(16)12-22-27-20-24-19(23-15-6-2-1-3-7-15)25-21(26-20)28-8-4-5-9-28/h1-3,6-7,10-12H,4-5,8-9,13H2,(H2,23,24,25,26,27)

InChI Key

TXUYCLSGPCFZGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00821514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

5.476

Distribution Coefficient, logD

5.476

Water Solubility, LogSw

-5.84

Polar Surface Area

115.364

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

3.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8005-6894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-6894?
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What is the minimum amount of 8005-6894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-6894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-6894
  • 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 8005-6894 available by request