D129-0082 Screening compound: 8-benzyl-3-(4-fluorophenyl)-4,9-dimethyl-7H-furo[2,3-f]chromen-7-one

D129-0082 Screening compound: 8-benzyl-3-(4-fluorophenyl)-4,9-dimethyl-7H-furo[2,3-f]chromen-7-one
D129-0082 Screening compound: 8-benzyl-3-(4-fluorophenyl)-4,9-dimethyl-7H-furo[2,3-f]chromen-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D129-0082
8-benzyl-3-(4-fluorophenyl)-4,9-dimethyl-7H-furo[2,3-f]chromen-7-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

D129-0082

Molecular Formula

C26H19FO3 (C26 H19 FO3)

Compound Name

8-benzyl-3-(4-fluorophenyl)-4,9-dimethyl-7H-furo[2,3-f]chromen-7-one

IUPAC name

8-benzyl-3-(4-fluorophenyl)-49-dimethyl-7H-furo[23-f]chromen-7-one

SMILES

Cc1c(c(-c(cc2)ccc2F)co2)c2c(C(C)=C(Cc2ccccc2)C(O2)=O)c2c1

InChI

InChI=1S/C26H19FO3/c1-15-12-22-24(16(2)20(26(28)30-22)13-17-6-4-3-5-7-17)25-23(15)21(14-29-25)18-8-10-19(27)11-9-18/h3-12,14H,13H2,1-2H3

InChI Key

VFSZTKAALZBKQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02185249

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.456

Distribution Coefficient, logD

6.456

Water Solubility, LogSw

-6.00

Polar Surface Area

30.410

Acid Dissociation Constant (pKa)

26.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

D129-0082 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D129-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D129-0082?
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What is the minimum amount of D129-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D129-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D129-0082
  • 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 D129-0082 available by request