5701-0764 Screening compound: (2E)-3-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

5701-0764 Screening compound: (2E)-3-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one
5701-0764 Screening compound: (2E)-3-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-0764
(2E)-3-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

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

5701-0764

Molecular Formula

C27H21FO4 (C27 H21 FO4)

Compound Name

(2E)-3-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

IUPAC name

(2E)-3-{3-[(2-fluorophenoxy)methyl]-4-methoxyphenyl}-1-(1-hydroxynaphthalen-2-yl)prop-2-en-1-one

SMILES

COc1c(COc(cccc2)c2F)cc(/C=C/C(c(ccc2ccccc22)c2O)=O)cc1

InChI

InChI=1S/C27H21FO4/c1-31-25-15-11-18(16-20(25)17-32-26-9-5-4-8-23(26)28)10-14-24(29)22-13-12-19-6-2-3-7-21(19)27(22)30/h2-16,30H,17H2,1H3

InChI Key

IHLSDFZTIWZIRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03678446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.285

Distribution Coefficient, logD

6.174

Water Solubility, LogSw

-6.60

Polar Surface Area

43.366

Acid Dissociation Constant (pKa)

7.94

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

5701-0764 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • 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 5701-0764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-0764?
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What is the minimum amount of 5701-0764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-0764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-0764
  • 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 5701-0764 available by request