4766-3557 Screening compound: 4-[(4-{[(4Z)-1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

4766-3557 Screening compound: 4-[(4-{[(4Z)-1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid
4766-3557 Screening compound: 4-[(4-{[(4Z)-1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 4766-3557
4-[(4-{[(4Z)-1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

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

4766-3557

Molecular Formula

C26H21FN2O6 (C26 H21 FN2 O6)

Compound Name

4-[(4-{[(4Z)-1-[(2-fluorophenyl)methyl]-2,5-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

IUPAC name

4-[(4-{[(4Z)-1-[(2-fluorophenyl)methyl]-25-dioxoimidazolidin-4-ylidene]methyl}-2-methoxyphenoxy)methyl]benzoic acid

SMILES

COc(cc(/C=C(/C(N1Cc(cccc2)c2F)=O)\NC1=O)cc1)c1OCc(cc1)ccc1C(O)=O

InChI

InChI=1S/C26H21FN2O6/c1-34-23-13-17(8-11-22(23)35-15-16-6-9-18(10-7-16)25(31)32)12-21-24(30)29(26(33)28-21)14-19-4-2-3-5-20(19)27/h2-13H,14-15H2,1H3,(H,28,33)(H,31,32)

InChI Key

ZTBRBRZHKBUWMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710201

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.429

Distribution Coefficient, logD

1.458

Water Solubility, LogSw

-4.59

Polar Surface Area

84.023

Acid Dissociation Constant (pKa)

4.43

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

References: we are preparing a list of scientific research reports with 4766-3557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4766-3557?
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What is the minimum amount of 4766-3557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4766-3557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4766-3557
  • 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 4766-3557 available by request