Y041-3839 Screening compound: 4-[(1H-imidazol-1-yl)methyl]-2H,6H,7H,8H-cyclopenta[g]chromen-2-one

Y041-3839 Screening compound: 4-[(1H-imidazol-1-yl)methyl]-2H,6H,7H,8H-cyclopenta[g]chromen-2-one
Y041-3839 Screening compound: 4-[(1H-imidazol-1-yl)methyl]-2H,6H,7H,8H-cyclopenta[g]chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3839
4-[(1H-imidazol-1-yl)methyl]-2H,6H,7H,8H-cyclopenta[g]chromen-2-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

Y041-3839

Molecular Formula

C16H14N2O2 (C16 H14 N2 O2)

Compound Name

4-[(1H-imidazol-1-yl)methyl]-2H,6H,7H,8H-cyclopenta[g]chromen-2-one

IUPAC name

4-[(1H-imidazol-1-yl)methyl]-2H6H7H8H-cyclopenta[g]chromen-2-one

SMILES

O=C1Oc(cc(CCC2)c2c2)c2C(Cn2cncc2)=C1

InChI

InChI=1S/C16H14N2O2/c19-16-8-13(9-18-5-4-17-10-18)14-6-11-2-1-3-12(11)7-15(14)20-16/h4-8,10H,1-3,9H2

InChI Key

XNTYGTIXNHKBCE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06609990

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

266.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.337

Distribution Coefficient, logD

2.336

Water Solubility, LogSw

-2.63

Polar Surface Area

33.483

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y041-3839 in Drug Discovery

Included in Screening Libraries

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y041-3839 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3839?
Check Price and Availability of Y041-3839, 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 Y041-3839 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3839
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3839
  • 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 Y041-3839 available by request