C151-0307 Screening compound: (3E,5E)-1-benzyl-3,5-bis[(1-methyl-1H-pyrrol-2-yl)methylidene]piperidin-4-one

C151-0307 Screening compound: (3E,5E)-1-benzyl-3,5-bis[(1-methyl-1H-pyrrol-2-yl)methylidene]piperidin-4-one
C151-0307 Screening compound: (3E,5E)-1-benzyl-3,5-bis[(1-methyl-1H-pyrrol-2-yl)methylidene]piperidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0307
(3E,5E)-1-benzyl-3,5-bis[(1-methyl-1H-pyrrol-2-yl)methylidene]piperidin-4-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

C151-0307

Molecular Formula

C24H25N3O (C24 H25 N3 O)

Compound Name

(3E,5E)-1-benzyl-3,5-bis[(1-methyl-1H-pyrrol-2-yl)methylidene]piperidin-4-one

IUPAC name

(3E5E)-1-benzyl-35-bis[(1-methyl-1H-pyrrol-2-yl)methylidene]piperidin-4-one

SMILES

Cn1c(/C=C(\CN(Cc2ccccc2)C/C2=C\c3cccn3C)/C2=O)ccc1

InChI

InChI=1S/C24H25N3O/c1-25-12-6-10-22(25)14-20-17-27(16-19-8-4-3-5-9-19)18-21(24(20)28)15-23-11-7-13-26(23)2/h3-15H,16-18H2,1-2H3

InChI Key

JWQVCSMVARUJDE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829014

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

371.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.518

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-4.29

Polar Surface Area

22.237

Acid Dissociation Constant (pKa)

28.72

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

C151-0307 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C151-0307 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0307?
Check Price and Availability of C151-0307, 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 C151-0307 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0307
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0307
  • 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 C151-0307 available by request