6930-0232 Screening compound: (4-bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone

6930-0232 Screening compound: (4-bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone
6930-0232 Screening compound: (4-bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6930-0232
(4-bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone

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

6930-0232

Molecular Formula

C14H16BrN3O (C14 H16 BrN3 O)

Compound Name

(4-bromophenyl)(1,3,5-triazatricyclo[3.3.1.1~3,7~]dec-7-yl)methanone

IUPAC name

7-(4-bromobenzoyl)-135-triazatricyclo[3.3.1.1^{37}]decane

SMILES

O=C(C(C1)(C2)CN3CN2CN1C3)c(cc1)ccc1Br

InChI

InChI=1S/C14H16BrN3O/c15-12-3-1-11(2-4-12)13(19)14-5-16-8-17(6-14)10-18(7-14)9-16/h1-4H,5-10H2

InChI Key

RZNGQZQEZQFNMQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00425984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.2

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.500

Distribution Coefficient, logD

2.498

Water Solubility, LogSw

-2.54

Polar Surface Area

25.497

Acid Dissociation Constant (pKa)

31.52

Base Dissociation Constant (pKb)

5.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

6930-0232 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS Targets (44014 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Nervous system
  • Nervous system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6930-0232 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6930-0232?
Check Price and Availability of 6930-0232, 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 6930-0232 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6930-0232
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6930-0232
  • 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 6930-0232 available by request