D141-0195 Screening compound: 4-[5-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine

D141-0195 Screening compound: 4-[5-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine
D141-0195 Screening compound: 4-[5-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0195
4-[5-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine

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

D141-0195

Molecular Formula

C25H22N6O3S (C25 H22 N6 O3 S)

Compound Name

4-[5-({[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]pyridine

IUPAC name

4-[5-({[3-(24-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}sulfanyl)-4-(3-methylphenyl)-4H-124-triazol-3-yl]pyridine

SMILES

Cc1cccc(-n2c(SCc3nc(-c(ccc(OC)c4)c4OC)no3)nnc2-c2ccncc2)c1

InChI

InChI=1S/C25H22N6O3S/c1-16-5-4-6-18(13-16)31-24(17-9-11-26-12-10-17)28-29-25(31)35-15-22-27-23(30-34-22)20-8-7-19(32-2)14-21(20)33-3/h4-14H,15H2,1-3H3

InChI Key

LVZRJASGFGCHJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.888

Distribution Coefficient, logD

4.888

Water Solubility, LogSw

-4.58

Polar Surface Area

80.658

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D141-0195 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D141-0195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0195?
Check Price and Availability of D141-0195, 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 D141-0195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0195
  • 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 D141-0195 available by request