2856-0040 Screening compound: ETHYL N-{2-[2-(TERT-BUTYLAMINO)ACETYL]-2-AZATRICYCLO[9.4.0.0^(3,8)]PENTADECA-1(11),3,5,7,12,14-HEXAEN-5-YL}CARBAMATE

2856-0040 Screening compound: ETHYL N-{2-[2-(TERT-BUTYLAMINO)ACETYL]-2-AZATRICYCLO[9.4.0.0^(3,8)]PENTADECA-1(11),3,5,7,12,14-HEXAEN-5-YL}CARBAMATE
2856-0040 Screening compound: ETHYL N-{2-[2-(TERT-BUTYLAMINO)ACETYL]-2-AZATRICYCLO[9.4.0.0^(3,8)]PENTADECA-1(11),3,5,7,12,14-HEXAEN-5-YL}CARBAMATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 2856-0040
ETHYL N-{2-[2-(TERT-BUTYLAMINO)ACETYL]-2-AZATRICYCLO[9.4.0.0^(3,8)]PENTADECA-1(11),3,5,7,12,14-HEXAEN-5-YL}CARBAMATE

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

2856-0040

Molecular Formula

C23H29N3O3 (C23 H29 N3 O3)

Compound Name

ETHYL N-{2-[2-(TERT-BUTYLAMINO)ACETYL]-2-AZATRICYCLO[9.4.0.0^(3,8)]PENTADECA-1(11),3,5,7,12,14-HEXAEN-5-YL}CARBAMATE

IUPAC name

n/a

SMILES

CCOC(Nc1cc(N(C(CNC(C)(C)C)=O)c2c(CC3)cccc2)c3cc1)=O

InChI

InChI=1S/C23H29N3O3/c1-5-29-22(28)25-18-13-12-17-11-10-16-8-6-7-9-19(16)26(20(17)14-18)21(27)15-24-23(2,3)4/h6-9,12-14,24H,5,10-11,15H2,1-4H3,(H,25,28)

InChI Key

MKJYFUZHQOPKOD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01550658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.536

Distribution Coefficient, logD

4.076

Water Solubility, LogSw

-4.17

Polar Surface Area

56.041

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

7.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

2856-0040 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2856-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2856-0040?
Check Price and Availability of 2856-0040, 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 2856-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2856-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2856-0040
  • 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 2856-0040 available by request