D129-0127 Screening compound: 2-[3-(4-fluorophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl]acetic acid

D129-0127 Screening compound: 2-[3-(4-fluorophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl]acetic acid
D129-0127 Screening compound: 2-[3-(4-fluorophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D129-0127
2-[3-(4-fluorophenyl)-4,9-dimethyl-7-oxo-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

D129-0127

Molecular Formula

C21H15FO5 (C21 H15 FO5)

Compound Name

2-[3-(4-fluorophenyl)-4,9-dimethyl-7-oxo-7H-furo[2,3-f]chromen-8-yl]acetic acid

IUPAC name

2-[3-(4-fluorophenyl)-49-dimethyl-7-oxo-7H-furo[23-f]chromen-8-yl]acetic acid

SMILES

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

InChI

InChI=1S/C21H15FO5/c1-10-7-16-19(11(2)14(8-17(23)24)21(25)27-16)20-18(10)15(9-26-20)12-3-5-13(22)6-4-12/h3-7,9H,8H2,1-2H3,(H,23,24)

InChI Key

ZGLWQWRCKSOMKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05676950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.35

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

4.104

Distribution Coefficient, logD

0.645

Water Solubility, LogSw

-4.65

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

D129-0127 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 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 D129-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D129-0127?
Check Price and Availability of D129-0127, 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 D129-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D129-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D129-0127
  • 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 D129-0127 available by request