D677-0494 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}acetamide

D677-0494 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}acetamide
D677-0494 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D677-0494
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}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

D677-0494

Molecular Formula

C17H12N4O4S (C17 H12 N4 O4 S)

Compound Name

2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}acetamide

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-{[5-(thiophen-2-yl)-124-oxadiazol-3-yl]methyl}acetamide

SMILES

O=C(CN(C(c1c2cccc1)=O)C2=O)NCc1noc(-c2cccs2)n1

InChI

InChI=1S/C17H12N4O4S/c22-14(9-21-16(23)10-4-1-2-5-11(10)17(21)24)18-8-13-19-15(25-20-13)12-6-3-7-26-12/h1-7H,8-9H2,(H,18,22)

InChI Key

CKQLLSCHAJKPDV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.931

Distribution Coefficient, logD

1.931

Water Solubility, LogSw

-2.82

Polar Surface Area

87.649

Acid Dissociation Constant (pKa)

14.72

Base Dissociation Constant (pKb)

-3.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

D677-0494 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 D677-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D677-0494?
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What is the minimum amount of D677-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D677-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D677-0494
  • 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 D677-0494 available by request