C151-0867 Screening compound: (2E,4E)-2,4-bis[(2-bromophenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

C151-0867 Screening compound: (2E,4E)-2,4-bis[(2-bromophenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one
C151-0867 Screening compound: (2E,4E)-2,4-bis[(2-bromophenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0867
(2E,4E)-2,4-bis[(2-bromophenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-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

C151-0867

Molecular Formula

C22H19Br2NO (C22 H19 Br2 NO)

Compound Name

(2E,4E)-2,4-bis[(2-bromophenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

IUPAC name

(2E4E)-24-bis[(2-bromophenyl)methylidene]-8-methyl-8-azabicyclo[3.2.1]octan-3-one

SMILES

CN(C(CC1)/C(/C2=O)=C\c(cccc3)c3Br)C1/C2=C\c(cccc1)c1Br

InChI

InChI=1S/C22H19Br2NO/c1-25-20-10-11-21(25)17(13-15-7-3-5-9-19(15)24)22(26)16(20)12-14-6-2-4-8-18(14)23/h2-9,12-13,20-21H,10-11H2,1H3

InChI Key

RBUWVTUJRZZBOU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14723046

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.21

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.142

Distribution Coefficient, logD

6.141

Water Solubility, LogSw

-5.64

Polar Surface Area

15.462

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

4.42

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

22.70

C151-0867 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Human GPCR Annotated Library (5539 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C151-0867 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0867?
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What is the minimum amount of C151-0867 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0867
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0867
  • 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 C151-0867 available by request