4642-0164 Screening compound: 2-(3-bromophenyl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

4642-0164 Screening compound: 2-(3-bromophenyl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
4642-0164 Screening compound: 2-(3-bromophenyl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4642-0164
2-(3-bromophenyl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

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

4642-0164

Molecular Formula

C18H23BrN2O (C18 H23 BrN2 O)

Compound Name

2-(3-bromophenyl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

IUPAC name

2-(3-bromophenyl)-57-diethyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CCC(C1)(CN2C(c3cccc(Br)c3)N1CC1(CC)C2)C1=O

InChI

InChI=1S/C18H23BrN2O/c1-3-17-9-20-11-18(4-2,16(17)22)12-21(10-17)15(20)13-6-5-7-14(19)8-13/h5-8,15H,3-4,9-12H2,1-2H3

InChI Key

GNHFIPGNDPFZSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01988589

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.899

Distribution Coefficient, logD

3.898

Water Solubility, LogSw

-3.87

Polar Surface Area

19.918

Acid Dissociation Constant (pKa)

28.91

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

References: we are preparing a list of scientific research reports with 4642-0164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4642-0164?
Check Price and Availability of 4642-0164, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 4642-0164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4642-0164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4642-0164
  • 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 4642-0164 available by request