5701-0659 Screening compound: (2E)-2-({3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-1,2,3,4-tetrahydronaphthalen-1-one

5701-0659 Screening compound: (2E)-2-({3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-1,2,3,4-tetrahydronaphthalen-1-one
5701-0659 Screening compound: (2E)-2-({3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-1,2,3,4-tetrahydronaphthalen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-0659
(2E)-2-({3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-1,2,3,4-tetrahydronaphthalen-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

5701-0659

Molecular Formula

C25H21FO3 (C25 H21 FO3)

Compound Name

(2E)-2-({3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-1,2,3,4-tetrahydronaphthalen-1-one

IUPAC name

(2E)-2-({3-[(4-fluorophenoxy)methyl]-4-methoxyphenyl}methylidene)-1234-tetrahydronaphthalen-1-one

SMILES

COc1c(COc(cc2)ccc2F)cc(/C=C(\CCc2c3cccc2)/C3=O)cc1

InChI

InChI=1S/C25H21FO3/c1-28-24-13-6-17(15-20(24)16-29-22-11-9-21(26)10-12-22)14-19-8-7-18-4-2-3-5-23(18)25(19)27/h2-6,9-15H,7-8,16H2,1H3

InChI Key

PBYKDHBMTIGAPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02237942

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.641

Distribution Coefficient, logD

5.641

Water Solubility, LogSw

-5.62

Polar Surface Area

27.892

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with 5701-0659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-0659?
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What is the minimum amount of 5701-0659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-0659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-0659
  • 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 5701-0659 available by request