8013-1405 Screening compound: 2-{[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)butanamide

8013-1405 Screening compound: 2-{[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)butanamide
8013-1405 Screening compound: 2-{[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1405
2-{[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)butanamide

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

8013-1405

Molecular Formula

C25H24N4O4S (C25 H24 N4 O4 S)

Compound Name

2-{[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-1-phenyl-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)butanamide

IUPAC name

2-{[(4E)-4-[(2-methoxyphenyl)methylidene]-5-oxo-1-phenyl-45-dihydro-1H-imidazol-2-yl]sulfanyl}-N-(5-methyl-12-oxazol-3-yl)butanamide

SMILES

CCC(C(Nc1noc(C)c1)=O)SC(N(C1=O)c2ccccc2)=N/C1=C/c(cccc1)c1OC

InChI

InChI=1S/C25H24N4O4S/c1-4-21(23(30)27-22-14-16(2)33-28-22)34-25-26-19(15-17-10-8-9-13-20(17)32-3)24(31)29(25)18-11-6-5-7-12-18/h5-15,21H,4H2,1-3H3,(H,27,28,30)/t21-/m0/s1

InChI Key

YMHLSKOULWZOHL-NRFANRHFSA-N

MDL Number (MFCD)

MFCD03409271

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.078

Distribution Coefficient, logD

5.053

Water Solubility, LogSw

-4.88

Polar Surface Area

78.138

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

-7.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

8013-1405 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Ion Channels Annotated Library (353 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8013-1405 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1405?
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What is the minimum amount of 8013-1405 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1405
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1405
  • 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 8013-1405 available by request