2222-0774 Screening compound: 4-acetylphenyl 4-bromobenzoate

2222-0774 Screening compound: 4-acetylphenyl 4-bromobenzoate
2222-0774 Screening compound: 4-acetylphenyl 4-bromobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2222-0774
4-acetylphenyl 4-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

2222-0774

Molecular Formula

C15H11BrO3 (C15 H11 BrO3)

Compound Name

4-acetylphenyl 4-bromobenzoate

IUPAC name

4-acetylphenyl 4-bromobenzoate

SMILES

CC(c(cc1)ccc1OC(c(cc1)ccc1Br)=O)=O

InChI

InChI=1S/C15H11BrO3/c1-10(17)11-4-8-14(9-5-11)19-15(18)12-2-6-13(16)7-3-12/h2-9H,1H3

InChI Key

IITJYZLHFNVSEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00432481

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

319.15

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-3.82

Polar Surface Area

34.443

Acid Dissociation Constant (pKa)

21.69

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

2222-0774 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiparasite Library (23996 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Agro:
  • Agro
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 2222-0774 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2222-0774?
Check Price and Availability of 2222-0774, 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 2222-0774 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2222-0774
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2222-0774
  • 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 2222-0774 available by request