D318-0198 Screening compound: 5,7-diethyl-2-(4-ethylphenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

D318-0198 Screening compound: 5,7-diethyl-2-(4-ethylphenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
D318-0198 Screening compound: 5,7-diethyl-2-(4-ethylphenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D318-0198
5,7-diethyl-2-(4-ethylphenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

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

D318-0198

Molecular Formula

C20H30N2O (C20 H30 N2 O)

Compound Name

5,7-diethyl-2-(4-ethylphenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

IUPAC name

57-diethyl-2-(4-ethylphenyl)-13-diazatricyclo[3.3.1.1^{37}]decan-6-ol

SMILES

CCC(C1)(CN2C(c3ccc(CC)cc3)N1CC1(CC)C2)C1O

InChI

InChI=1S/C20H30N2O/c1-4-15-7-9-16(10-8-15)17-21-11-19(5-2)12-22(17)14-20(6-3,13-21)18(19)23/h7-10,17-18,23H,4-6,11-14H2,1-3H3

InChI Key

GJEGYWUNFFTAPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580137

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.354

Distribution Coefficient, logD

1.936

Water Solubility, LogSw

-3.02

Polar Surface Area

22.281

Acid Dissociation Constant (pKa)

19.30

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

70.00

D318-0198 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D318-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D318-0198?
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What is the minimum amount of D318-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D318-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D318-0198
  • 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 D318-0198 available by request