0359-0090 Screening compound: ethyl 4-hydroxy-2-oxo-2H-chromene-3-carboxylate

0359-0090 Screening compound: ethyl 4-hydroxy-2-oxo-2H-chromene-3-carboxylate
0359-0090 Screening compound: ethyl 4-hydroxy-2-oxo-2H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0359-0090
ethyl 4-hydroxy-2-oxo-2H-chromene-3-carboxylate

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

0359-0090

Molecular Formula

C12H10O5 (C12 H10 O5)

Compound Name

ethyl 4-hydroxy-2-oxo-2H-chromene-3-carboxylate

IUPAC name

ethyl 4-hydroxy-2-oxo-2H-chromene-3-carboxylate

SMILES

CCOC(C(C(Oc1c2cccc1)=O)=C2O)=O

InChI

InChI=1S/C12H10O5/c1-2-16-11(14)9-10(13)7-5-3-4-6-8(7)17-12(9)15/h3-6,13H,2H2,1H3

InChI Key

RAGGBDBRGYOOED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00047639

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

234.21

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

1.474

Distribution Coefficient, logD

-2.821

Water Solubility, LogSw

-2.31

Polar Surface Area

56.985

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

0359-0090 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0359-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0359-0090?
Check Price and Availability of 0359-0090, 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 0359-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0359-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0359-0090
  • 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 0359-0090 available by request