0848-0167 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3-methoxybenzoate

0848-0167 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3-methoxybenzoate
0848-0167 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3-methoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0848-0167
2-(4-bromophenyl)-2-oxoethyl 3-methoxybenzoate

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

0848-0167

Molecular Formula

C16H13BrO4 (C16 H13 BrO4)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 3-methoxybenzoate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 3-methoxybenzoate

SMILES

COc1cccc(C(OCC(c(cc2)ccc2Br)=O)=O)c1

InChI

InChI=1S/C16H13BrO4/c1-20-14-4-2-3-12(9-14)16(19)21-10-15(18)11-5-7-13(17)8-6-11/h2-9H,10H2,1H3

InChI Key

WVBZUSNFUUJWRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00413799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.18

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.054

Distribution Coefficient, logD

4.054

Water Solubility, LogSw

-4.38

Polar Surface Area

41.887

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

0848-0167 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 0848-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0848-0167?
Check Price and Availability of 0848-0167, 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 0848-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0848-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0848-0167
  • 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 0848-0167 available by request