P597-1545 Screening compound: 3-(1,2-diethyl-1H-1,3-benzimidazol-6-yl)-5-(3-thienyl)-1,2,4-oxadiazole

P597-1545 Screening compound: 3-(1,2-diethyl-1H-1,3-benzimidazol-6-yl)-5-(3-thienyl)-1,2,4-oxadiazole
P597-1545 Screening compound: 3-(1,2-diethyl-1H-1,3-benzimidazol-6-yl)-5-(3-thienyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P597-1545
3-(1,2-diethyl-1H-1,3-benzimidazol-6-yl)-5-(3-thienyl)-1,2,4-oxadiazole

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

P597-1545

Molecular Formula

C17H16N4OS (C17 H16 N4 OS)

Compound Name

3-(1,2-diethyl-1H-1,3-benzimidazol-6-yl)-5-(3-thienyl)-1,2,4-oxadiazole

IUPAC name

12-diethyl-6-[5-(thiophen-3-yl)-124-oxadiazol-3-yl]-1H-13-benzodiazole

SMILES

CCc1nc(ccc(-c2noc(-c3cscc3)n2)c2)c2n1CC

InChI

InChI=1S/C17H16N4OS/c1-3-15-18-13-6-5-11(9-14(13)21(15)4-2)16-19-17(22-20-16)12-7-8-23-10-12/h5-10H,3-4H2,1-2H3

InChI Key

CGWVJRVQTZAVMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27606238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

324.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.816

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-4.66

Polar Surface Area

43.564

Acid Dissociation Constant (pKa)

23.85

Base Dissociation Constant (pKb)

6.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.53

P597-1545 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with P597-1545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P597-1545?
Check Price and Availability of P597-1545, 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 P597-1545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P597-1545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P597-1545
  • 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 P597-1545 available by request