4695-0932 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

4695-0932 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
4695-0932 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4695-0932
2-(4-bromophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-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

4695-0932

Molecular Formula

C16H13BrO5 (C16 H13 BrO5)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 46-dimethyl-2-oxo-2H-pyran-5-carboxylate

SMILES

CC(C(C(OCC(c(cc1)ccc1Br)=O)=O)=C(C)O1)=CC1=O

InChI

InChI=1S/C16H13BrO5/c1-9-7-14(19)22-10(2)15(9)16(20)21-8-13(18)11-3-5-12(17)6-4-11/h3-7H,8H2,1-2H3

InChI Key

YUWYSEPKTFFSLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00401857

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.18

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-3.19

Polar Surface Area

55.149

Acid Dissociation Constant (pKa)

22.65

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

4695-0932 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 4695-0932 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4695-0932?
Check Price and Availability of 4695-0932, 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 4695-0932 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4695-0932
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4695-0932
  • 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 4695-0932 available by request