0927-0047 Screening compound: 2-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-bromo-6-nitrophenol

0927-0047 Screening compound: 2-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-bromo-6-nitrophenol
0927-0047 Screening compound: 2-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-bromo-6-nitrophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0927-0047
2-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-bromo-6-nitrophenol

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

0927-0047

Molecular Formula

C20H25BrN8O3 (C20 H25 BrN8 O3)

Compound Name

2-[(E)-{2-[4,6-bis(piperidin-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-bromo-6-nitrophenol

IUPAC name

2-[(E)-{2-[46-bis(piperidin-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-4-bromo-6-nitrophenol

SMILES

[O-][N+](c(cc(cc1/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)Br)c1O)=O

InChI

InChI=1S/C20H25BrN8O3/c21-15-11-14(17(30)16(12-15)29(31)32)13-22-26-18-23-19(27-7-3-1-4-8-27)25-20(24-18)28-9-5-2-6-10-28/h11-13,30H,1-10H2,(H,23,24,25,26)

InChI Key

XPMLJPYBARZAKC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00806542

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.893

Distribution Coefficient, logD

5.687

Water Solubility, LogSw

-5.99

Polar Surface Area

105.695

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

6.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with 0927-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0927-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0927-0047
  • 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 0927-0047 available by request