D065-0071 Screening compound: 5-({[4-(4-ethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole

D065-0071 Screening compound: 5-({[4-(4-ethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
D065-0071 Screening compound: 5-({[4-(4-ethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D065-0071
5-({[4-(4-ethylphenyl)-5-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methylphenyl)-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

D065-0071

Molecular Formula

C21H21N5OS (C21 H21 N5 OS)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1-n1c(SCc2nc(-c3ccc(C)cc3)no2)nnc1C

InChI

InChI=1S/C21H21N5OS/c1-4-16-7-11-18(12-8-16)26-15(3)23-24-21(26)28-13-19-22-20(25-27-19)17-9-5-14(2)6-10-17/h5-12H,4,13H2,1-3H3

InChI Key

NGPIIOMYSBBRJI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811683

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.5

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

5.141

Distribution Coefficient, logD

5.141

Water Solubility, LogSw

-5.06

Polar Surface Area

57.104

Acid Dissociation Constant (pKa)

26.44

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

D065-0071 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 D065-0071 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D065-0071?
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What is the minimum amount of D065-0071 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D065-0071
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D065-0071
  • 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 D065-0071 available by request