D171-0151 Screening compound: 5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

D171-0151 Screening compound: 5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
D171-0151 Screening compound: 5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D171-0151
5-butyl-2-(3,4-dimethoxyphenyl)-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

D171-0151

Molecular Formula

C21H30N2O3 (C21 H30 N2 O3)

Compound Name

5-butyl-2-(3,4-dimethoxyphenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

IUPAC name

5-butyl-2-(34-dimethoxyphenyl)-7-methyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CCCCC1(CN(CC2(C)C3)C(c(cc4)cc(OC)c4OC)N3C1)C2=O

InChI

InChI=1S/C21H32N2O3/c1-5-6-9-21-13-22-11-20(2,19(21)24)12-23(14-21)18(22)15-7-8-16(25-3)17(10-15)26-4/h7-8,10,18,22-23H,5-6,9,11-14H2,1-4H3

InChI Key

STFVKSQCDQOULA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05856558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.292

Distribution Coefficient, logD

3.291

Water Solubility, LogSw

-3.34

Polar Surface Area

35.179

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

66.70

D171-0151 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 D171-0151 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D171-0151?
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What is the minimum amount of D171-0151 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D171-0151
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D171-0151
  • 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 D171-0151 available by request