D065-0101 Screening compound: 5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole

D065-0101 Screening compound: 5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole
D065-0101 Screening compound: 5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0101
5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-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

D065-0101

Molecular Formula

C23H19N5OS2 (C23 H19 N5 OS2)

Compound Name

5-({[5-benzyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-1,2,4-oxadiazole

IUPAC name

5-({[5-benzyl-4-(3-methylphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-3-(thiophen-2-yl)-124-oxadiazole

SMILES

Cc1cccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2Cc2ccccc2)c1

InChI

InChI=1S/C23H19N5OS2/c1-16-7-5-10-18(13-16)28-20(14-17-8-3-2-4-9-17)25-26-23(28)31-15-21-24-22(27-29-21)19-11-6-12-30-19/h2-13H,14-15H2,1H3

InChI Key

MGABSNCRTQUOBE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07048948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.698

Distribution Coefficient, logD

5.698

Water Solubility, LogSw

-5.58

Polar Surface Area

58.050

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

3.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

D065-0101 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D065-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0101?
Check Price and Availability of D065-0101, 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 D065-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0101
  • 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 D065-0101 available by request