0873-0046 Screening compound: 2-[(E)-{2-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-5-bromophenol

0873-0046 Screening compound: 2-[(E)-{2-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-5-bromophenol
0873-0046 Screening compound: 2-[(E)-{2-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-5-bromophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0873-0046
2-[(E)-{2-[4,6-bis(azepan-1-yl)-1,3,5-triazin-2-yl]hydrazin-1-ylidene}methyl]-5-bromophenol

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

0873-0046

Molecular Formula

C22H30BrN7O (C22 H30 BrN7 O)

Compound Name

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

IUPAC name

2-[(E)-{2-[46-bis(azepan-1-yl)-135-triazin-2-yl]hydrazin-1-ylidene}methyl]-5-bromophenol

SMILES

Oc1c(/C=N/Nc2nc(N3CCCCCC3)nc(N3CCCCCC3)n2)ccc(Br)c1

InChI

InChI=1S/C22H30BrN7O/c23-18-10-9-17(19(31)15-18)16-24-28-20-25-21(29-11-5-1-2-6-12-29)27-22(26-20)30-13-7-3-4-8-14-30/h9-10,15-16,31H,1-8,11-14H2,(H,25,26,27,28)

InChI Key

PHNNLWZGZPJOOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00993061

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.526

Distribution Coefficient, logD

7.495

Water Solubility, LogSw

-5.91

Polar Surface Area

74.345

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.50

0873-0046 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0873-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0873-0046?
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What is the minimum amount of 0873-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0873-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0873-0046
  • 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 0873-0046 available by request