C151-0791 Screening compound: (2Z,4E)-8-methyl-2,4-bis[(thiophen-3-yl)methylidene]-8-azabicyclo[3.2.1]octan-3-one

C151-0791 Screening compound: (2Z,4E)-8-methyl-2,4-bis[(thiophen-3-yl)methylidene]-8-azabicyclo[3.2.1]octan-3-one
C151-0791 Screening compound: (2Z,4E)-8-methyl-2,4-bis[(thiophen-3-yl)methylidene]-8-azabicyclo[3.2.1]octan-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0791
(2Z,4E)-8-methyl-2,4-bis[(thiophen-3-yl)methylidene]-8-azabicyclo[3.2.1]octan-3-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

C151-0791

Molecular Formula

C18H17NOS2 (C18 H17 NOS2)

Compound Name

(2Z,4E)-8-methyl-2,4-bis[(thiophen-3-yl)methylidene]-8-azabicyclo[3.2.1]octan-3-one

IUPAC name

(2Z4E)-8-methyl-24-bis[(thiophen-3-yl)methylidene]-8-azabicyclo[3.2.1]octan-3-one

SMILES

CN(C(CC1)/C(/C2=O)=C\c3cscc3)C1/C2=C/c1cscc1

InChI

InChI=1S/C18H17NOS2/c1-19-16-2-3-17(19)15(9-13-5-7-22-11-13)18(20)14(16)8-12-4-6-21-10-12/h4-11,16-17H,2-3H2,1H3

InChI Key

WYVMFRBWOTYIDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.378

Distribution Coefficient, logD

4.372

Water Solubility, LogSw

-4.29

Polar Surface Area

17.499

Acid Dissociation Constant (pKa)

27.02

Base Dissociation Constant (pKb)

5.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.80

C151-0791 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 C151-0791 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0791?
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What is the minimum amount of C151-0791 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0791
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0791
  • 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 C151-0791 available by request