6058-0005 Screening compound: 2-(4-chlorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

6058-0005 Screening compound: 2-(4-chlorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
6058-0005 Screening compound: 2-(4-chlorophenyl)-5,7-diisopropyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6058-0005
2-(4-chlorophenyl)-5,7-diisopropyl-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

6058-0005

Molecular Formula

C20H27ClN2O (C20 H27 ClN2 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(C1)(CN(C2)C(c(cc3)ccc3Cl)N1CC21C(C)C)C1=O

InChI

InChI=1S/C20H27ClN2O/c1-13(2)19-9-22-11-20(14(3)4,18(19)24)12-23(10-19)17(22)15-5-7-16(21)8-6-15/h5-8,13-14,17H,9-12H2,1-4H3

InChI Key

XVTXYBSUSJSLDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02955967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.9

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.290

Distribution Coefficient, logD

4.290

Water Solubility, LogSw

-4.75

Polar Surface Area

19.918

Acid Dissociation Constant (pKa)

27.15

Base Dissociation Constant (pKb)

3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

6058-0005 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6058-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6058-0005?
Check Price and Availability of 6058-0005, 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 6058-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6058-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6058-0005
  • 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 6058-0005 available by request