0080-0010 Screening compound: 2-(propan-2-yl)-2H,3H,7H-furo[3,2-g]chromene-3,7-dione

0080-0010 Screening compound: 2-(propan-2-yl)-2H,3H,7H-furo[3,2-g]chromene-3,7-dione
0080-0010 Screening compound: 2-(propan-2-yl)-2H,3H,7H-furo[3,2-g]chromene-3,7-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 0080-0010
2-(propan-2-yl)-2H,3H,7H-furo[3,2-g]chromene-3,7-dione

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

0080-0010

Molecular Formula

C14H12O4 (C14 H12 O4)

Compound Name

2-(propan-2-yl)-2H,3H,7H-furo[3,2-g]chromene-3,7-dione

IUPAC name

2-(propan-2-yl)-2H3H7H-furo[32-g]chromene-37-dione

SMILES

CC(C)C1Oc2cc(OC(C=C3)=O)c3cc2C1=O

InChI

InChI=1S/C14H12O4/c1-7(2)14-13(16)9-5-8-3-4-12(15)17-10(8)6-11(9)18-14/h3-7,14H,1-2H3/t14-/m1/s1

InChI Key

PYTXVUBIYABGPG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD00438821

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

244.25

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.398

Distribution Coefficient, logD

2.398

Water Solubility, LogSw

-2.48

Polar Surface Area

41.762

Acid Dissociation Constant (pKa)

21.52

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

0080-0010 in Drug Discovery

Included in Screening Libraries

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

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 0080-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0080-0010?
Check Price and Availability of 0080-0010, 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 0080-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0080-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0080-0010
  • 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 0080-0010 available by request