D677-0125 Screening compound: 2,3-dimethoxy-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

D677-0125 Screening compound: 2,3-dimethoxy-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide
D677-0125 Screening compound: 2,3-dimethoxy-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D677-0125
2,3-dimethoxy-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

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

D677-0125

Molecular Formula

C16H15N3O4S (C16 H15 N3 O4 S)

Compound Name

2,3-dimethoxy-N-{[5-(thiophen-2-yl)-1,2,4-oxadiazol-3-yl]methyl}benzamide

IUPAC name

23-dimethoxy-N-{[5-(thiophen-2-yl)-124-oxadiazol-3-yl]methyl}benzamide

SMILES

COc1cccc(C(NCc2noc(-c3cccs3)n2)=O)c1OC

InChI

InChI=1S/C16H15N3O4S/c1-21-11-6-3-5-10(14(11)22-2)15(20)17-9-13-18-16(23-19-13)12-7-4-8-24-12/h3-8H,9H2,1-2H3,(H,17,20)

InChI Key

KVAMYTMWRKHKSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27595805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.38

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.861

Distribution Coefficient, logD

2.861

Water Solubility, LogSw

-3.57

Polar Surface Area

73.685

Acid Dissociation Constant (pKa)

12.20

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

D677-0125 in Drug Discovery

Included in Screening Libraries

Immunological Library (6760 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with D677-0125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D677-0125?
Check Price and Availability of D677-0125, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D677-0125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D677-0125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D677-0125
  • 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 D677-0125 available by request