8002-7423 Screening compound: 7-[(3-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide

8002-7423 Screening compound: 7-[(3-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide
8002-7423 Screening compound: 7-[(3-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8002-7423
7-[(3-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide

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

8002-7423

Molecular Formula

C23H28BrN3S (C23 H28 BrN3 S)

Compound Name

7-[(3-bromophenyl)methyl]-1,5-dimethyl-N-phenyl-3,7-diazabicyclo[3.3.1]nonane-3-carbothioamide

IUPAC name

7-[(3-bromophenyl)methyl]-15-dimethyl-N-phenyl-37-diazabicyclo[3.3.1]nonane-3-carbothioamide

SMILES

CC(C1)(CN(Cc2cccc(Br)c2)CC1(C)C1)CN1C(Nc1ccccc1)=S

InChI

InChI=1S/C23H28BrN3S/c1-22-13-23(2,15-26(14-22)12-18-7-6-8-19(24)11-18)17-27(16-22)21(28)25-20-9-4-3-5-10-20/h3-11H,12-17H2,1-2H3,(H,25,28)

InChI Key

IOFWDHJQDPSCBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00343794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.373

Distribution Coefficient, logD

3.985

Water Solubility, LogSw

-5.56

Polar Surface Area

14.331

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

8.77

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.48

8002-7423 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 8002-7423 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8002-7423?
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What is the minimum amount of 8002-7423 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8002-7423
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8002-7423
  • 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 8002-7423 available by request