D318-0241 Screening compound: 2-[4-(benzyloxy)phenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane

D318-0241 Screening compound: 2-[4-(benzyloxy)phenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane
D318-0241 Screening compound: 2-[4-(benzyloxy)phenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound D318-0241
2-[4-(benzyloxy)phenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane

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

D318-0241

Molecular Formula

C23H28N2O (C23 H28 N2 O)

Compound Name

2-[4-(benzyloxy)phenyl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decane

IUPAC name

2-[4-(benzyloxy)phenyl]-57-dimethyl-13-diazatricyclo[3.3.1.1^{37}]decane

SMILES

CC(C1)(C2)CN3C(c(cc4)ccc4OCc4ccccc4)N2CC1(C)C3

InChI

InChI=1S/C23H28N2O/c1-22-13-23(2)16-24(14-22)21(25(15-22)17-23)19-8-10-20(11-9-19)26-12-18-6-4-3-5-7-18/h3-11,21H,12-17H2,1-2H3

InChI Key

YRAWKOXBZUEKEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580157

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.311

Distribution Coefficient, logD

3.812

Water Solubility, LogSw

-4.59

Polar Surface Area

13.999

Acid Dissociation Constant (pKa)

29.40

Base Dissociation Constant (pKb)

7.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

D318-0241 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Lipid Metabolism Library (9174 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D318-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D318-0241?
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What is the minimum amount of D318-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D318-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D318-0241
  • 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 D318-0241 available by request