4483-0494 Screening compound: butyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

4483-0494 Screening compound: butyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate
4483-0494 Screening compound: butyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-0494
butyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}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

4483-0494

Molecular Formula

C23H24BrNO6 (C23 H24 BrNO6)

Compound Name

butyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

IUPAC name

butyl 4-{4-[2-(4-bromophenyl)-2-oxoethoxy]-4-oxobutanamido}benzoate

SMILES

CCCCOC(c(cc1)ccc1NC(CCC(OCC(c(cc1)ccc1Br)=O)=O)=O)=O

InChI

InChI=1S/C23H24BrNO6/c1-2-3-14-30-23(29)17-6-10-19(11-7-17)25-21(27)12-13-22(28)31-15-20(26)16-4-8-18(24)9-5-16/h4-11H,2-3,12-15H2,1H3,(H,25,27)

InChI Key

GUIFSNURZPSELP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502670

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.35

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.911

Distribution Coefficient, logD

4.910

Water Solubility, LogSw

-4.64

Polar Surface Area

77.945

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

4483-0494 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

SH2 Library (10483 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 4483-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-0494?
Check Price and Availability of 4483-0494, 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 4483-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-0494
  • 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 4483-0494 available by request