4483-3088 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3-{[4-(2,3-dimethylphenoxy)phenyl]carbamoyl}propanoate

4483-3088 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3-{[4-(2,3-dimethylphenoxy)phenyl]carbamoyl}propanoate
4483-3088 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3-{[4-(2,3-dimethylphenoxy)phenyl]carbamoyl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-3088
2-(4-bromophenyl)-2-oxoethyl 3-{[4-(2,3-dimethylphenoxy)phenyl]carbamoyl}propanoate

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

4483-3088

Molecular Formula

C26H24BrNO5 (C26 H24 BrNO5)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 3-{[4-(2,3-dimethylphenoxy)phenyl]carbamoyl}propanoate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 3-{[4-(23-dimethylphenoxy)phenyl]carbamoyl}propanoate

SMILES

Cc1cccc(Oc(cc2)ccc2NC(CCC(OCC(c(cc2)ccc2Br)=O)=O)=O)c1C

InChI

InChI=1S/C26H24BrNO5/c1-17-4-3-5-24(18(17)2)33-22-12-10-21(11-13-22)28-25(30)14-15-26(31)32-16-23(29)19-6-8-20(27)9-7-19/h3-13H,14-16H2,1-2H3,(H,28,30)

InChI Key

POVQCIDBVOHZJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02187791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.38

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.650

Distribution Coefficient, logD

5.650

Water Solubility, LogSw

-5.53

Polar Surface Area

63.732

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

4483-3088 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 4483-3088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-3088?
Check Price and Availability of 4483-3088, 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 4483-3088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-3088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-3088
  • 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 4483-3088 available by request