4158-1683 Screening compound: 7-hydroxy-4,8-dimethyl-6-propanoyl-2H-chromen-2-one

4158-1683 Screening compound: 7-hydroxy-4,8-dimethyl-6-propanoyl-2H-chromen-2-one
4158-1683 Screening compound: 7-hydroxy-4,8-dimethyl-6-propanoyl-2H-chromen-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 4158-1683
7-hydroxy-4,8-dimethyl-6-propanoyl-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

4158-1683

Molecular Formula

C14H14O4 (C14 H14 O4)

Compound Name

7-hydroxy-4,8-dimethyl-6-propanoyl-2H-chromen-2-one

IUPAC name

7-hydroxy-48-dimethyl-6-propanoyl-2H-chromen-2-one

SMILES

CCC(c(c(O)c1C)cc(C(C)=C2)c1OC2=O)=O

InChI

InChI=1S/C14H14O4/c1-4-11(15)10-6-9-7(2)5-12(16)18-14(9)8(3)13(10)17/h5-6,17H,4H2,1-3H3

InChI Key

YPTSTYVADCNXPE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02955634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

246.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.621

Distribution Coefficient, logD

2.614

Water Solubility, LogSw

-2.80

Polar Surface Area

49.056

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

4158-1683 in Drug Discovery

Included in Screening Libraries

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 4158-1683 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4158-1683?
Check Price and Availability of 4158-1683, 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 4158-1683 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4158-1683
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4158-1683
  • 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 4158-1683 available by request