6015-0011 Screening compound: ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.0~2,6~]undeca-2(6),4-diene-5-carboxylate

6015-0011 Screening compound: ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.0~2,6~]undeca-2(6),4-diene-5-carboxylate
6015-0011 Screening compound: ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.0~2,6~]undeca-2(6),4-diene-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6015-0011
ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.0~2,6~]undeca-2(6),4-diene-5-carboxylate

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

6015-0011

Molecular Formula

C26H26N2O3S (C26 H26 N2 O3 S)

Compound Name

ethyl 4-[(2,2-diphenylacetyl)amino]-3-thia-1-azatricyclo[5.2.2.0~2,6~]undeca-2(6),4-diene-5-carboxylate

IUPAC name

ethyl 4-(22-diphenylacetamido)-3-thia-1-azatricyclo[5.2.2.0^{26}]undeca-2(6)4-diene-5-carboxylate

SMILES

CCOC(c1c(NC(C(c2ccccc2)c2ccccc2)=O)sc2c1C1CCN2CC1)=O

InChI

InChI=1S/C26H26N2O3S/c1-2-31-26(30)22-21-19-13-15-28(16-14-19)25(21)32-24(22)27-23(29)20(17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19-20H,2,13-16H2,1H3,(H,27,29)

InChI Key

OSBTTWWJGOGMCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01926049

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

446.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.152

Distribution Coefficient, logD

3.821

Water Solubility, LogSw

-5.08

Polar Surface Area

45.765

Acid Dissociation Constant (pKa)

6.09

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

6015-0011 in Drug Discovery

Included in Screening Libraries

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

Human Transcription Factors Annotated Library (5098 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 6015-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6015-0011?
Check Price and Availability of 6015-0011, 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 6015-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6015-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6015-0011
  • 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 6015-0011 available by request