8015-3992 Screening compound: methyl 4-[3-(4-chlorophenoxy)-1-(4-fluorophenethyl)-4-oxo-2-azetanyl]benzoate

8015-3992 Screening compound: methyl 4-[3-(4-chlorophenoxy)-1-(4-fluorophenethyl)-4-oxo-2-azetanyl]benzoate
8015-3992 Screening compound: methyl 4-[3-(4-chlorophenoxy)-1-(4-fluorophenethyl)-4-oxo-2-azetanyl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-3992
methyl 4-[3-(4-chlorophenoxy)-1-(4-fluorophenethyl)-4-oxo-2-azetanyl]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

8015-3992

Molecular Formula

C25H21ClFNO4 (C25 H21 ClFNO4)

Compound Name

methyl 4-[3-(4-chlorophenoxy)-1-(4-fluorophenethyl)-4-oxo-2-azetanyl]benzoate

IUPAC name

methyl 4-[3-(4-chlorophenoxy)-1-[2-(4-fluorophenyl)ethyl]-4-oxoazetidin-2-yl]benzoate

SMILES

COC(c1ccc(C(C2Oc(cc3)ccc3Cl)N(CCc(cc3)ccc3F)C2=O)cc1)=O

InChI

InChI=1S/C25H21ClFNO4/c1-31-25(30)18-6-4-17(5-7-18)22-23(32-21-12-8-19(26)9-13-21)24(29)28(22)15-14-16-2-10-20(27)11-3-16/h2-13,22-23H,14-15H2,1H3

InChI Key

GDYOOOJUHQYLSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04061228

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.394

Distribution Coefficient, logD

5.394

Water Solubility, LogSw

-6.22

Polar Surface Area

43.554

Acid Dissociation Constant (pKa)

21.14

Base Dissociation Constant (pKb)

-2.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

20.00

8015-3992 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-3992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-3992?
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What is the minimum amount of 8015-3992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-3992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-3992
  • 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 8015-3992 available by request