5585-0332 Screening compound: 2-(4-isopropoxyphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

5585-0332 Screening compound: 2-(4-isopropoxyphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
5585-0332 Screening compound: 2-(4-isopropoxyphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5585-0332
2-(4-isopropoxyphenyl)-5,7-dipropyl-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

5585-0332

Molecular Formula

C23H34N2O2 (C23 H34 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CCCC(C1)(CN2C(c(cc3)ccc3OC(C)C)N1CC1(CCC)C2)C1=O

InChI

InChI=1S/C23H34N2O2/c1-5-11-22-13-24-15-23(12-6-2,21(22)26)16-25(14-22)20(24)18-7-9-19(10-8-18)27-17(3)4/h7-10,17,20H,5-6,11-16H2,1-4H3

InChI Key

QMBXSUFKMXQUML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03289488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.823

Distribution Coefficient, logD

4.823

Water Solubility, LogSw

-4.44

Polar Surface Area

26.721

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

References: we are preparing a list of scientific research reports with 5585-0332 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5585-0332?
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What is the minimum amount of 5585-0332 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5585-0332
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5585-0332
  • 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 5585-0332 available by request