2477-0742 Screening compound: 2-(4-methoxyphenyl)-2-oxo-1-phenylethyl 2-bromobenzoate

2477-0742 Screening compound: 2-(4-methoxyphenyl)-2-oxo-1-phenylethyl 2-bromobenzoate
2477-0742 Screening compound: 2-(4-methoxyphenyl)-2-oxo-1-phenylethyl 2-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2477-0742
2-(4-methoxyphenyl)-2-oxo-1-phenylethyl 2-bromobenzoate

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

2477-0742

Molecular Formula

C22H17BrO4 (C22 H17 BrO4)

Compound Name

2-(4-methoxyphenyl)-2-oxo-1-phenylethyl 2-bromobenzoate

IUPAC name

2-(4-methoxyphenyl)-2-oxo-1-phenylethyl 2-bromobenzoate

SMILES

COc(cc1)ccc1C(C(c1ccccc1)OC(c(cccc1)c1Br)=O)=O

InChI

InChI=1S/C22H17BrO4/c1-26-17-13-11-15(12-14-17)20(24)21(16-7-3-2-4-8-16)27-22(25)18-9-5-6-10-19(18)23/h2-14,21H,1H3/t21-/m1/s1

InChI Key

LJJCHTIXWAXQRS-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD01576640

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.984

Distribution Coefficient, logD

4.984

Water Solubility, LogSw

-4.73

Polar Surface Area

41.383

Acid Dissociation Constant (pKa)

18.74

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.10

2477-0742 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2477-0742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2477-0742?
Check Price and Availability of 2477-0742, 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 2477-0742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2477-0742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2477-0742
  • 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 2477-0742 available by request