D115-0022 Screening compound: 2-(1-ethyl-2-methyl-1H-indol-3-yl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

D115-0022 Screening compound: 2-(1-ethyl-2-methyl-1H-indol-3-yl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one
D115-0022 Screening compound: 2-(1-ethyl-2-methyl-1H-indol-3-yl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D115-0022
2-(1-ethyl-2-methyl-1H-indol-3-yl)-5-methyl-7-phenyl-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

D115-0022

Molecular Formula

C26H29N3O (C26 H29 N3 O)

Compound Name

2-(1-ethyl-2-methyl-1H-indol-3-yl)-5-methyl-7-phenyl-1,3-diazatricyclo[3.3.1.1~3,7~]decan-6-one

IUPAC name

2-(1-ethyl-2-methyl-1H-indol-3-yl)-5-methyl-7-phenyl-13-diazatricyclo[3.3.1.1^{37}]decan-6-one

SMILES

CCn1c(cccc2)c2c(C(N(CC(C)(C2)C3=O)C4)N2CC34c2ccccc2)c1C

InChI

InChI=1S/C26H31N3O/c1-4-29-18(2)22(20-12-8-9-13-21(20)29)23-27-14-25(3)15-28(23)17-26(16-27,24(25)30)19-10-6-5-7-11-19/h5-13,23,27-28H,4,14-17H2,1-3H3

InChI Key

UZWROJNZVKXNSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06177343

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.337

Distribution Coefficient, logD

4.330

Water Solubility, LogSw

-4.24

Polar Surface Area

20.843

Acid Dissociation Constant (pKa)

28.42

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

D115-0022 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D115-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D115-0022?
Check Price and Availability of D115-0022, 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 D115-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D115-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D115-0022
  • 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 D115-0022 available by request