8003-4284 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 4-butoxybenzoate

8003-4284 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 4-butoxybenzoate
8003-4284 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl 4-butoxybenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4284
2-(4-chlorophenyl)-2-oxoethyl 4-butoxybenzoate

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

8003-4284

Molecular Formula

C19H19ClO4 (C19 H19 ClO4)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl 4-butoxybenzoate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl 4-butoxybenzoate

SMILES

CCCCOc(cc1)ccc1C(OCC(c(cc1)ccc1Cl)=O)=O

InChI

InChI=1S/C19H19ClO4/c1-2-3-12-23-17-10-6-15(7-11-17)19(22)24-13-18(21)14-4-8-16(20)9-5-14/h4-11H,2-3,12-13H2,1H3

InChI Key

LEXUJGJYWQBOIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00634910

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.306

Distribution Coefficient, logD

5.306

Water Solubility, LogSw

-5.92

Polar Surface Area

41.761

Acid Dissociation Constant (pKa)

22.46

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

8003-4284 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8003-4284 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4284?
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What is the minimum amount of 8003-4284 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4284
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4284
  • 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 8003-4284 available by request