5530-3192 Screening compound: 3-bromo-11,11-dimethyl-10-(2-methylallyl)-9-azatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene

5530-3192 Screening compound: 3-bromo-11,11-dimethyl-10-(2-methylallyl)-9-azatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene
5530-3192 Screening compound: 3-bromo-11,11-dimethyl-10-(2-methylallyl)-9-azatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene alternative view

Chemical Structure Depiction of ChemDiv screening compound 5530-3192
3-bromo-11,11-dimethyl-10-(2-methylallyl)-9-azatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene

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

5530-3192

Molecular Formula

C17H22BrN (C17 H22 BrN)

Compound Name

3-bromo-11,11-dimethyl-10-(2-methylallyl)-9-azatricyclo[6.2.2.0~2,7~]dodeca-2(7),3,5-triene

IUPAC name

3-bromo-1111-dimethyl-10-(2-methylprop-2-en-1-yl)-9-azatricyclo[6.2.2.0^{27}]dodeca-2(7)35-triene

SMILES

CC(C)(CC(c1ccc2)NC3CC(C)=C)C3c1c2Br

InChI

InChI=1S/C17H22BrN/c1-10(2)8-13-16-15-11(6-5-7-12(15)18)14(19-13)9-17(16,3)4/h5-7,13-14,16,19H,1,8-9H2,2-4H3

InChI Key

PNQKGQJZPWPRDM-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

320.27

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.683

Distribution Coefficient, logD

2.141

Water Solubility, LogSw

-4.47

Polar Surface Area

12.943

Acid Dissociation Constant (pKa)

23.74

Base Dissociation Constant (pKb)

9.94

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.90

References: we are preparing a list of scientific research reports with 5530-3192 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5530-3192?
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What is the minimum amount of 5530-3192 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5530-3192
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5530-3192
  • 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 5530-3192 available by request