0831-1041 Screening compound: (2E,5E)-2,5-bis[(pyridin-2-yl)methylidene]cyclopentan-1-one

0831-1041 Screening compound: (2E,5E)-2,5-bis[(pyridin-2-yl)methylidene]cyclopentan-1-one
0831-1041 Screening compound: (2E,5E)-2,5-bis[(pyridin-2-yl)methylidene]cyclopentan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 0831-1041
(2E,5E)-2,5-bis[(pyridin-2-yl)methylidene]cyclopentan-1-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

0831-1041

Molecular Formula

C17H14N2O (C17 H14 N2 O)

Compound Name

(2E,5E)-2,5-bis[(pyridin-2-yl)methylidene]cyclopentan-1-one

IUPAC name

(2E5E)-25-bis[(pyridin-2-yl)methylidene]cyclopentan-1-one

SMILES

O=C(/C(/CC1)=C/c2ncccc2)/C1=C/c1ncccc1

InChI

InChI=1S/C17H14N2O/c20-17-13(11-15-5-1-3-9-18-15)7-8-14(17)12-16-6-2-4-10-19-16/h1-6,9-12H,7-8H2

InChI Key

XYTZNQXEAFGUJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00499167

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.286

Distribution Coefficient, logD

2.286

Water Solubility, LogSw

-2.39

Polar Surface Area

32.486

Acid Dissociation Constant (pKa)

29.63

Base Dissociation Constant (pKb)

1.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

0831-1041 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0831-1041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0831-1041?
Check Price and Availability of 0831-1041, 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 0831-1041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0831-1041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0831-1041
  • 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 0831-1041 available by request