D141-0198 Screening compound: 3-(2,4-dimethoxyphenyl)-5-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole

D141-0198 Screening compound: 3-(2,4-dimethoxyphenyl)-5-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole
D141-0198 Screening compound: 3-(2,4-dimethoxyphenyl)-5-({[5-methyl-4-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0198
3-(2,4-dimethoxyphenyl)-5-({[5-methyl-4-(3-methylphenyl)-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

D141-0198

Molecular Formula

C21H21N5O3S (C21 H21 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(n1-c2cc(C)ccc2)nnc1SCc1nc(-c(ccc(OC)c2)c2OC)no1

InChI

InChI=1S/C21H21N5O3S/c1-13-6-5-7-15(10-13)26-14(2)23-24-21(26)30-12-19-22-20(25-29-19)17-9-8-16(27-3)11-18(17)28-4/h5-11H,12H2,1-4H3

InChI Key

PLIRERVTGBYQNG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.988

Distribution Coefficient, logD

3.988

Water Solubility, LogSw

-4.29

Polar Surface Area

72.278

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D141-0198 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 D141-0198 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0198?
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What is the minimum amount of D141-0198 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0198
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0198
  • 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 D141-0198 available by request