D038-0558 Screening compound: 2-(5-ethyl-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

D038-0558 Screening compound: 2-(5-ethyl-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
D038-0558 Screening compound: 2-(5-ethyl-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D038-0558
2-(5-ethyl-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

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

D038-0558

Molecular Formula

C15H15N3O2S (C15 H15 N3 O2 S)

Compound Name

2-(5-ethyl-1-benzofuran-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide

IUPAC name

2-(5-ethyl-1-benzofuran-3-yl)-N-(5-methyl-134-thiadiazol-2-yl)acetamide

SMILES

CCc(cc1)cc2c1occ2CC(Nc1nnc(C)s1)=O

InChI

InChI=1S/C15H15N3O2S/c1-3-10-4-5-13-12(6-10)11(8-20-13)7-14(19)16-15-18-17-9(2)21-15/h4-6,8H,3,7H2,1-2H3,(H,16,18,19)

InChI Key

DXEDLVHAAOVZPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646803

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.031

Distribution Coefficient, logD

2.864

Water Solubility, LogSw

-3.16

Polar Surface Area

56.027

Acid Dissociation Constant (pKa)

7.73

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

D038-0558 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with D038-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D038-0558?
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What is the minimum amount of D038-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D038-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D038-0558
  • 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 D038-0558 available by request