4483-0469 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3-[(4-hydroxyphenyl)carbamoyl]propanoate

4483-0469 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3-[(4-hydroxyphenyl)carbamoyl]propanoate
4483-0469 Screening compound: 2-(4-bromophenyl)-2-oxoethyl 3-[(4-hydroxyphenyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4483-0469
2-(4-bromophenyl)-2-oxoethyl 3-[(4-hydroxyphenyl)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

4483-0469

Molecular Formula

C18H16BrNO5 (C18 H16 BrNO5)

Compound Name

2-(4-bromophenyl)-2-oxoethyl 3-[(4-hydroxyphenyl)carbamoyl]propanoate

IUPAC name

2-(4-bromophenyl)-2-oxoethyl 3-[(4-hydroxyphenyl)carbamoyl]propanoate

SMILES

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

InChI

InChI=1S/C18H16BrNO5/c19-13-3-1-12(2-4-13)16(22)11-25-18(24)10-9-17(23)20-14-5-7-15(21)8-6-14/h1-8,21H,9-11H2,(H,20,23)

InChI Key

FMCDQNMNWWHEFD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00502630

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.23

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.705

Distribution Coefficient, logD

2.704

Water Solubility, LogSw

-3.17

Polar Surface Area

74.514

Acid Dissociation Constant (pKa)

10.11

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

4483-0469 in Drug Discovery

Included in Screening Libraries

Carbonic Anhydrase II Library (4939 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with 4483-0469 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4483-0469?
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What is the minimum amount of 4483-0469 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4483-0469
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4483-0469
  • 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 4483-0469 available by request