1636-0276 Screening compound: ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate

1636-0276 Screening compound: ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate
1636-0276 Screening compound: ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1636-0276
ethyl 6,8-dibromo-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

1636-0276

Molecular Formula

C12H8Br2O4 (C12 H8 Br2 O4)

Compound Name

ethyl 6,8-dibromo-2-oxo-2H-chromene-3-carboxylate

IUPAC name

ethyl 68-dibromo-2-oxo-2H-chromene-3-carboxylate

SMILES

CCOC(C1=Cc2cc(Br)cc(Br)c2OC1=O)=O

InChI

InChI=1S/C12H8Br2O4/c1-2-17-11(15)8-4-6-3-7(13)5-9(14)10(6)18-12(8)16/h3-5H,2H2,1H3

InChI Key

FERPJUOPTLEUDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00173736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

3.864

Water Solubility, LogSw

-4.06

Polar Surface Area

41.598

Acid Dissociation Constant (pKa)

30.32

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

1636-0276 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 1636-0276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1636-0276?
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What is the minimum amount of 1636-0276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1636-0276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1636-0276
  • 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 1636-0276 available by request