D129-0125 Screening compound: 2-{4,9-dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl}acetic acid

D129-0125 Screening compound: 2-{4,9-dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl}acetic acid
D129-0125 Screening compound: 2-{4,9-dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl}acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D129-0125
2-{4,9-dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl}acetic acid

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

D129-0125

Molecular Formula

C21H16O5 (C21 H16 O5)

Compound Name

2-{4,9-dimethyl-7-oxo-3-phenyl-7H-furo[2,3-f]chromen-8-yl}acetic acid

IUPAC name

2-{49-dimethyl-7-oxo-3-phenyl-7H-furo[23-f]chromen-8-yl}acetic acid

SMILES

Cc(c1c2occ1-c1ccccc1)cc(O1)c2C(C)=C(CC(O)=O)C1=O

InChI

InChI=1S/C21H16O5/c1-11-8-16-19(12(2)14(9-17(22)23)21(24)26-16)20-18(11)15(10-25-20)13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,22,23)

InChI Key

WJQHNEWGCZKROX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05673338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

0.511

Water Solubility, LogSw

-4.47

Polar Surface Area

59.065

Acid Dissociation Constant (pKa)

3.94

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D129-0125 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 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 D129-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D129-0125?
Check Price and Availability of D129-0125, 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 D129-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D129-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D129-0125
  • 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 D129-0125 available by request