5504-0431 Screening compound: 2-(4-isopropylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

5504-0431 Screening compound: 2-(4-isopropylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
5504-0431 Screening compound: 2-(4-isopropylphenyl)-5,7-dipropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5504-0431
2-(4-isopropylphenyl)-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

5504-0431

Molecular Formula

C23H34N2O (C23 H34 N2 O)

Compound Name

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

IUPAC name

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

SMILES

CCCC(C1)(CN2C(c3ccc(C(C)C)cc3)N1CC1(CCC)C2)C1=O

InChI

InChI=1S/C23H34N2O/c1-5-11-22-13-24-15-23(12-6-2,21(22)26)16-25(14-22)20(24)19-9-7-18(8-10-19)17(3)4/h7-10,17,20H,5-6,11-16H2,1-4H3

InChI Key

YQJFTVXXIJXBBH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03502313

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.495

Distribution Coefficient, logD

5.495

Water Solubility, LogSw

-5.41

Polar Surface Area

19.918

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

69.60

5504-0431 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 5504-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5504-0431?
Check Price and Availability of 5504-0431, 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 5504-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5504-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5504-0431
  • 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 5504-0431 available by request