0873-0050 Screening compound: 1-[4-(azepan-1-yl)-6-[(2E)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-1,3,5-triazin-2-yl]azepane

0873-0050 Screening compound: 1-[4-(azepan-1-yl)-6-[(2E)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-1,3,5-triazin-2-yl]azepane
0873-0050 Screening compound: 1-[4-(azepan-1-yl)-6-[(2E)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-1,3,5-triazin-2-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound 0873-0050
1-[4-(azepan-1-yl)-6-[(2E)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-1,3,5-triazin-2-yl]azepane

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

0873-0050

Molecular Formula

C23H30BrN7O2 (C23 H30 BrN7 O2)

Compound Name

1-[4-(azepan-1-yl)-6-[(2E)-2-[(6-bromo-2H-1,3-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-1,3,5-triazin-2-yl]azepane

IUPAC name

1-[4-(azepan-1-yl)-6-[(2E)-2-[(6-bromo-2H-13-benzodioxol-5-yl)methylidene]hydrazin-1-yl]-135-triazin-2-yl]azepane

SMILES

Brc1c(/C=N/Nc2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)cc2OCOc2c1

InChI

InChI=1S/C23H30BrN7O2/c24-18-14-20-19(32-16-33-20)13-17(18)15-25-29-21-26-22(30-9-5-1-2-6-10-30)28-23(27-21)31-11-7-3-4-8-12-31/h13-15H,1-12,16H2,(H,26,27,28,29)

InChI Key

IHMYMVJUUQZCOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

516.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.388

Distribution Coefficient, logD

7.342

Water Solubility, LogSw

-6.04

Polar Surface Area

74.912

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

56.50

References: we are preparing a list of scientific research reports with 0873-0050 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0873-0050?
Check Price and Availability of 0873-0050, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0873-0050 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0873-0050
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0873-0050
  • 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 0873-0050 available by request