2739-0088 Screening compound: methyl 2-[3-(4-fluorophenyl)-5-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

2739-0088 Screening compound: methyl 2-[3-(4-fluorophenyl)-5-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate
2739-0088 Screening compound: methyl 2-[3-(4-fluorophenyl)-5-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2739-0088
methyl 2-[3-(4-fluorophenyl)-5-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

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

2739-0088

Molecular Formula

C21H20FN3O5S (C21 H20 FN3 O5 S)

Compound Name

methyl 2-[3-(4-fluorophenyl)-5-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

IUPAC name

methyl 2-[3-(4-fluorophenyl)-5-{[(4-methoxyphenyl)carbamoyl]methyl}-4-oxo-2-sulfanylideneimidazolidin-1-yl]acetate

SMILES

COC(CN(C(CC(Nc(cc1)ccc1OC)=O)C(N1c(cc2)ccc2F)=O)C1=S)=O

InChI

InChI=1S/C21H20FN3O5S/c1-29-16-9-5-14(6-10-16)23-18(26)11-17-20(28)25(15-7-3-13(22)4-8-15)21(31)24(17)12-19(27)30-2/h3-10,17H,11-12H2,1-2H3,(H,23,26)/t17-/m1/s1

InChI Key

XPWUYJILDDUVCB-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD03056783

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.828

Distribution Coefficient, logD

1.828

Water Solubility, LogSw

-2.62

Polar Surface Area

69.791

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

2.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

2739-0088 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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 2739-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2739-0088?
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What is the minimum amount of 2739-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2739-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2739-0088
  • 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 2739-0088 available by request