8013-3722 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-{[(4E)-5-oxo-1-phenyl-4-(phenylmethylidene)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}butanamide

8013-3722 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-{[(4E)-5-oxo-1-phenyl-4-(phenylmethylidene)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}butanamide
8013-3722 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-2-{[(4E)-5-oxo-1-phenyl-4-(phenylmethylidene)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3722
N-(5-methyl-1,2-oxazol-3-yl)-2-{[(4E)-5-oxo-1-phenyl-4-(phenylmethylidene)-4,5-dihydro-1H-imidazol-2-yl]sulfanyl}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

8013-3722

Molecular Formula

C24H22N4O3S (C24 H22 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1noc(C)c1)=O)SC(N(C1=O)c2ccccc2)=N/C1=C/c1ccccc1

InChI

InChI=1S/C24H22N4O3S/c1-3-20(22(29)26-21-14-16(2)31-27-21)32-24-25-19(15-17-10-6-4-7-11-17)23(30)28(24)18-12-8-5-9-13-18/h4-15,20H,3H2,1-2H3,(H,26,27,29)/t20-/m0/s1

InChI Key

HGXUVFLIBUMLOE-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03271577

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.903

Distribution Coefficient, logD

4.878

Water Solubility, LogSw

-4.59

Polar Surface Area

70.508

Acid Dissociation Constant (pKa)

8.62

Base Dissociation Constant (pKb)

0.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

16.70

8013-3722 in Drug Discovery

Included in Screening Libraries

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 8013-3722 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3722?
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What is the minimum amount of 8013-3722 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3722
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3722
  • 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 8013-3722 available by request