D171-0142 Screening compound: 5-butyl-2-(2-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

D171-0142 Screening compound: 5-butyl-2-(2-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
D171-0142 Screening compound: 5-butyl-2-(2-chlorophenyl)-7-methyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D171-0142
5-butyl-2-(2-chlorophenyl)-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

D171-0142

Molecular Formula

C19H25ClN2O (C19 H25 ClN2 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCC1(CN(CC2(C)C3)C(c(cccc4)c4Cl)N3C1)C2=O

InChI

InChI=1S/C19H27ClN2O/c1-3-4-9-19-12-21-10-18(2,17(19)23)11-22(13-19)16(21)14-7-5-6-8-15(14)20/h5-8,16,21-22H,3-4,9-13H2,1-2H3

InChI Key

USSKGEOEYXYCPU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04183582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.87

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.207

Distribution Coefficient, logD

4.207

Water Solubility, LogSw

-4.29

Polar Surface Area

19.918

Acid Dissociation Constant (pKa)

26.90

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

63.20

References: we are preparing a list of scientific research reports with D171-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D171-0142?
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What is the minimum amount of D171-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D171-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D171-0142
  • 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 D171-0142 available by request