D318-0212 Screening compound: 5,7-diethyl-2-(4-isopropoxyphenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

D318-0212 Screening compound: 5,7-diethyl-2-(4-isopropoxyphenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
D318-0212 Screening compound: 5,7-diethyl-2-(4-isopropoxyphenyl)-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound D318-0212
5,7-diethyl-2-(4-isopropoxyphenyl)-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

D318-0212

Molecular Formula

C21H32N2O2 (C21 H32 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCC(C1)(CN2C(c(cc3)ccc3OC(C)C)N1CC1(CC)C2)C1O

InChI

InChI=1S/C21H32N2O2/c1-5-20-11-22-13-21(6-2,19(20)24)14-23(12-20)18(22)16-7-9-17(10-8-16)25-15(3)4/h7-10,15,18-19,24H,5-6,11-14H2,1-4H3

InChI Key

LXRSOJVKHZMPOQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580145

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.090

Distribution Coefficient, logD

2.393

Water Solubility, LogSw

-3.03

Polar Surface Area

29.084

Acid Dissociation Constant (pKa)

19.30

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

71.40

D318-0212 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with D318-0212 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D318-0212?
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What is the minimum amount of D318-0212 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D318-0212
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D318-0212
  • 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 D318-0212 available by request