4483-3281 Screening compound: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(4-bromobenzamido)benzoate

4483-3281 Screening compound: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(4-bromobenzamido)benzoate
4483-3281 Screening compound: 2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(4-bromobenzamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3281
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(4-bromobenzamido)benzoate

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

4483-3281

Molecular Formula

C23H17BrN2O6 (C23 H17 BrN2 O6)

Compound Name

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(4-bromobenzamido)benzoate

IUPAC name

2-(4-methyl-3-nitrophenyl)-2-oxoethyl 4-(4-bromobenzamido)benzoate

SMILES

Cc(ccc(C(COC(c(cc1)ccc1NC(c(cc1)ccc1Br)=O)=O)=O)c1)c1[N+]([O-])=O

InChI

InChI=1S/C23H17BrN2O6/c1-14-2-3-17(12-20(14)26(30)31)21(27)13-32-23(29)16-6-10-19(11-7-16)25-22(28)15-4-8-18(24)9-5-15/h2-12H,13H2,1H3,(H,25,28)

InChI Key

BMCRORINFMTHJL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02318368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.3

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.527

Distribution Coefficient, logD

5.499

Water Solubility, LogSw

-5.40

Polar Surface Area

90.515

Acid Dissociation Constant (pKa)

8.58

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

4483-3281 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 4483-3281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3281?
Check Price and Availability of 4483-3281, 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 4483-3281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3281
  • 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 4483-3281 available by request