D318-0210 Screening compound: 2-(1,3-benzodioxol-5-yl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

D318-0210 Screening compound: 2-(1,3-benzodioxol-5-yl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
D318-0210 Screening compound: 2-(1,3-benzodioxol-5-yl)-5,7-diethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D318-0210
2-(1,3-benzodioxol-5-yl)-5,7-diethyl-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

D318-0210

Molecular Formula

C19H26N2O3 (C19 H26 N2 O3)

Compound Name

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

IUPAC name

2-(2H-13-benzodioxol-5-yl)-57-diethyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-ol

SMILES

CCC(C1)(CN2C(c(cc3)cc4c3OCO4)N1CC1(CC)C2)C1O

InChI

InChI=1S/C19H26N2O3/c1-3-18-8-20-10-19(4-2,17(18)22)11-21(9-18)16(20)13-5-6-14-15(7-13)24-12-23-14/h5-7,16-17,22H,3-4,8-12H2,1-2H3

InChI Key

UUCKANWOCYNRKH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038415

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.353

Distribution Coefficient, logD

0.303

Water Solubility, LogSw

-2.52

Polar Surface Area

39.397

Acid Dissociation Constant (pKa)

19.30

Base Dissociation Constant (pKb)

9.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

D318-0210 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D318-0210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D318-0210?
Check Price and Availability of D318-0210, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D318-0210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D318-0210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D318-0210
  • 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 D318-0210 available by request