D141-0007 Screening compound: 3-(2-methylphenyl)-5-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

D141-0007 Screening compound: 3-(2-methylphenyl)-5-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
D141-0007 Screening compound: 3-(2-methylphenyl)-5-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0007
3-(2-methylphenyl)-5-({[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-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

D141-0007

Molecular Formula

C25H21N5OS (C25 H21 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1c(SCc2nc(-c3c(C)cccc3)no2)nnc1-c1ccccc1

InChI

InChI=1S/C25H21N5OS/c1-17-12-14-20(15-13-17)30-24(19-9-4-3-5-10-19)27-28-25(30)32-16-22-26-23(29-31-22)21-11-7-6-8-18(21)2/h3-15H,16H2,1-2H3

InChI Key

BZOUNGMMBPYLAD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812368

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.272

Distribution Coefficient, logD

6.272

Water Solubility, LogSw

-5.75

Polar Surface Area

56.055

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

D141-0007 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D141-0007 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0007?
Check Price and Availability of D141-0007, 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 D141-0007 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0007
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0007
  • 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 D141-0007 available by request