D171-0108 Screening compound: 2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

D171-0108 Screening compound: 2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
D171-0108 Screening compound: 2-(4-ethylphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D171-0108
2-(4-ethylphenyl)-5,7-dimethyl-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

D171-0108

Molecular Formula

C18H26N2O (C18 H26 N2 O)

Compound Name

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

IUPAC name

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

SMILES

CCc1ccc(C(N(CC2(C)C3)C4)N3CC4(C)C2O)cc1

InChI

InChI=1S/C18H26N2O/c1-4-13-5-7-14(8-6-13)15-19-9-17(2)10-20(15)12-18(3,11-19)16(17)21/h5-8,15-16,21H,4,9-12H2,1-3H3

InChI Key

MDSIDYZTXCOIDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05260301

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.42

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.792

Distribution Coefficient, logD

1.374

Water Solubility, LogSw

-2.66

Polar Surface Area

22.281

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

8.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

D171-0108 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 D171-0108 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D171-0108?
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What is the minimum amount of D171-0108 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D171-0108
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D171-0108
  • 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 D171-0108 available by request