5526-0470 Screening compound: (4Z)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-(thiophen-2-yl)-4,5-dihydro-1,3-oxazol-5-one

5526-0470 Screening compound: (4Z)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-(thiophen-2-yl)-4,5-dihydro-1,3-oxazol-5-one
5526-0470 Screening compound: (4Z)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-(thiophen-2-yl)-4,5-dihydro-1,3-oxazol-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5526-0470
(4Z)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-(thiophen-2-yl)-4,5-dihydro-1,3-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

5526-0470

Molecular Formula

C17H13NO3S (C17 H13 NO3 S)

Compound Name

(4Z)-4-[(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-2-(thiophen-2-yl)-4,5-dihydro-1,3-oxazol-5-one

IUPAC name

(4Z)-4-[(2-methyl-23-dihydro-1-benzofuran-5-yl)methylidene]-2-(thiophen-2-yl)-45-dihydro-13-oxazol-5-one

SMILES

CC(C1)Oc2c1cc(/C=C1\N=C(c3cccs3)OC1=O)cc2

InChI

InChI=1S/C17H13NO3S/c1-10-7-12-8-11(4-5-14(12)20-10)9-13-17(19)21-16(18-13)15-3-2-6-22-15/h2-6,8-10H,7H2,1H3/t10-/m1/s1

InChI Key

OXTTVXAGOMXGNB-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD05025266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-3.75

Polar Surface Area

38.796

Acid Dissociation Constant (pKa)

25.93

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.60

5526-0470 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5526-0470 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5526-0470?
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What is the minimum amount of 5526-0470 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5526-0470
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5526-0470
  • 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 5526-0470 available by request