8020-1186 Screening compound: 4-(1H-imidazol-1-ylmethyl)-5,7-dimethyl-2H-chromen-2-one

8020-1186 Screening compound: 4-(1H-imidazol-1-ylmethyl)-5,7-dimethyl-2H-chromen-2-one
8020-1186 Screening compound: 4-(1H-imidazol-1-ylmethyl)-5,7-dimethyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-1186
4-(1H-imidazol-1-ylmethyl)-5,7-dimethyl-2H-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

8020-1186

Molecular Formula

C15H14N2O2 (C15 H14 N2 O2)

Compound Name

4-(1H-imidazol-1-ylmethyl)-5,7-dimethyl-2H-chromen-2-one

IUPAC name

4-[(1H-imidazol-1-yl)methyl]-57-dimethyl-2H-chromen-2-one

SMILES

Cc(cc1C)cc(O2)c1C(Cn1cncc1)=CC2=O

InChI

InChI=1S/C15H14N2O2/c1-10-5-11(2)15-12(8-17-4-3-16-9-17)7-14(18)19-13(15)6-10/h3-7,9H,8H2,1-2H3

InChI Key

WHABTBFDFRLYSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06767837

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

254.29

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

2.369

Distribution Coefficient, logD

2.368

Water Solubility, LogSw

-2.34

Polar Surface Area

33.196

Acid Dissociation Constant (pKa)

26.56

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8020-1186 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

BRD4 Targeted Library (4534 compounds)

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

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8020-1186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-1186?
Check Price and Availability of 8020-1186, 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 8020-1186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-1186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-1186
  • 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 8020-1186 available by request