D210-0013 Screening compound: 2-(1,3-benzodioxol-5-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

D210-0013 Screening compound: 2-(1,3-benzodioxol-5-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
D210-0013 Screening compound: 2-(1,3-benzodioxol-5-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D210-0013
2-(1,3-benzodioxol-5-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

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

D210-0013

Molecular Formula

C18H22N2O3 (C18 H22 N2 O3)

Compound Name

2-(1,3-benzodioxol-5-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

IUPAC name

2-(2H-13-benzodioxol-5-yl)-5-ethyl-7-methyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CCC1(CN(CC2(C)C3)C(c(cc4)cc5c4OCO5)N3C1)C2=O

InChI

InChI=1S/C18H24N2O3/c1-3-18-9-19-7-17(2,16(18)21)8-20(10-18)15(19)12-4-5-13-14(6-12)23-11-22-13/h4-6,15,19-20H,3,7-11H2,1-2H3

InChI Key

QIJCESNUKHDGDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03003846

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

314.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.614

Distribution Coefficient, logD

2.611

Water Solubility, LogSw

-2.85

Polar Surface Area

37.034

Acid Dissociation Constant (pKa)

28.91

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

61.10

D210-0013 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS BBB Library (22607 compounds)

Soluble Diversity Library (15920 compounds)

Akt-Targeted Library (14764 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D210-0013 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D210-0013?
Check Price and Availability of D210-0013, 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 D210-0013 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D210-0013
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D210-0013
  • 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 D210-0013 available by request