8009-7950 Screening compound: 2-cyclohexyl-3-(cyclohexylamino)-11-dipropyl-1H2H-9lambda5-pyrido[21-f][1352]triazaborinin-9-ylium-1-uide

8009-7950 Screening compound: 2-cyclohexyl-3-(cyclohexylamino)-11-dipropyl-1H2H-9lambda5-pyrido[21-f][1352]triazaborinin-9-ylium-1-uide
8009-7950 Screening compound: 2-cyclohexyl-3-(cyclohexylamino)-11-dipropyl-1H2H-9lambda5-pyrido[21-f][1352]triazaborinin-9-ylium-1-uide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7950
2-cyclohexyl-3-(cyclohexylamino)-11-dipropyl-1H2H-9lambda5-pyrido[21-f][1352]triazaborinin-9-ylium-1-uide

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

8009-7950

Molecular Formula

C24H41BN4 (C24 H41 BN4)

Compound Name

2-cyclohexyl-3-(cyclohexylamino)-11-dipropyl-1H2H-9lambda5-pyrido[21-f][1352]triazaborinin-9-ylium-1-uide

IUPAC name

2-cyclohexyl-3-(cyclohexylamino)-11-dipropyl-1H2H-9lambda5-pyrido[21-f][1352]triazaborinin-9-ylium-1-uide

SMILES

CCC[B-]1(CCC)[n+](cccc2)c2N=C(NC2CCCCC2)N1C1CCCCC1

InChI

InChI=1S/C24H41BN4/c1-3-18-25(19-4-2)28-20-12-11-17-23(28)27-24(26-21-13-7-5-8-14-21)29(25)22-15-9-6-10-16-22/h11-12,17,20-22H,3-10,13-16,18-19H2,1-2H3,(H,26,27)

InChI Key

MMTJWSFLDMTFGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01308538

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.43

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.042

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-5.96

Polar Surface Area

26.727

Acid Dissociation Constant (pKa)

20.13

Base Dissociation Constant (pKb)

9.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

References: we are preparing a list of scientific research reports with 8009-7950 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7950?
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What is the minimum amount of 8009-7950 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7950
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7950
  • 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 8009-7950 available by request