2189-1732 Screening compound: 4-(4-bromophenyl)-1-(2-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene

2189-1732 Screening compound: 4-(4-bromophenyl)-1-(2-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
2189-1732 Screening compound: 4-(4-bromophenyl)-1-(2-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene alternative view

Chemical Structure Depiction of ChemDiv screening compound 2189-1732
4-(4-bromophenyl)-1-(2-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene

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

2189-1732

Molecular Formula

C21H17BrClN3 (C21 H17 BrClN3)

Compound Name

4-(4-bromophenyl)-1-(2-chlorophenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene

IUPAC name

6-(4-bromophenyl)-2-(2-chlorophenyl)-134-triazatricyclo[5.4.1.0^{412}]dodeca-257(12)-triene

SMILES

Clc(cccc1)c1-c(n1CCCC2)nn3c1c2c(-c(cc1)ccc1Br)c3

InChI

InChI=1S/C21H17BrClN3/c22-15-10-8-14(9-11-15)18-13-26-21-16(18)5-3-4-12-25(21)20(24-26)17-6-1-2-7-19(17)23/h1-2,6-11,13H,3-5,12H2

InChI Key

AIOIBBGQBHXENE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01419604

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.74

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.831

Distribution Coefficient, logD

6.831

Water Solubility, LogSw

-6.60

Polar Surface Area

16.144

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

2189-1732 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2189-1732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2189-1732?
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What is the minimum amount of 2189-1732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2189-1732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2189-1732
  • 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 2189-1732 available by request