6026-0040 Screening compound: 2-(4-isopropoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

6026-0040 Screening compound: 2-(4-isopropoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol
6026-0040 Screening compound: 2-(4-isopropoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6026-0040
2-(4-isopropoxyphenyl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-ol

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

6026-0040

Molecular Formula

C19H28N2O2 (C19 H28 N2 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)Oc1ccc(C(N(CC2(C)C3)C4)N3CC4(C)C2O)cc1

InChI

InChI=1S/C19H28N2O2/c1-13(2)23-15-7-5-14(6-8-15)16-20-9-18(3)10-21(16)12-19(4,11-20)17(18)22/h5-8,13,16-17,22H,9-12H2,1-4H3

InChI Key

NKRMFNJGZRZSIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03084087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.528

Distribution Coefficient, logD

1.831

Water Solubility, LogSw

-2.41

Polar Surface Area

29.084

Acid Dissociation Constant (pKa)

19.51

Base Dissociation Constant (pKb)

8.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

6026-0040 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
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 6026-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6026-0040?
Check Price and Availability of 6026-0040, 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 6026-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6026-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6026-0040
  • 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 6026-0040 available by request