5168-3665 Screening compound: (4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one

5168-3665 Screening compound: (4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one
5168-3665 Screening compound: (4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5168-3665
(4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-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

5168-3665

Molecular Formula

C12H10BrNO4 (C12 H10 BrNO4)

Compound Name

(4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-4,5-dihydro-1,2-oxazol-5-one

IUPAC name

(4Z)-4-[(3-bromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-45-dihydro-12-oxazol-5-one

SMILES

CC(/C1=C/c(cc2OC)cc(Br)c2O)=NOC1=O

InChI

InChI=1S/C12H10BrNO4/c1-6-8(12(16)18-14-6)3-7-4-9(13)11(15)10(5-7)17-2/h3-5,15H,1-2H3

InChI Key

YJSWZTVNYOURFQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03307444

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.12

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.972

Distribution Coefficient, logD

1.895

Water Solubility, LogSw

-1.83

Polar Surface Area

58.246

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-4.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

5168-3665 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 5168-3665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5168-3665?
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What is the minimum amount of 5168-3665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5168-3665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5168-3665
  • 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 5168-3665 available by request