D141-0247 Screening compound: 5-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole

D141-0247 Screening compound: 5-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole
D141-0247 Screening compound: 5-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethoxyphenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D141-0247
5-({[5-benzyl-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-ethoxyphenyl)-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

D141-0247

Molecular Formula

C27H25N5O3S (C27 H25 N5 O3 S)

Compound Name

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

IUPAC name

5-({[5-benzyl-4-(4-methoxyphenyl)-4H-124-triazol-3-yl]sulfanyl}methyl)-3-(4-ethoxyphenyl)-124-oxadiazole

SMILES

CCOc(cc1)ccc1-c1noc(CSc2nnc(Cc3ccccc3)n2-c(cc2)ccc2OC)n1

InChI

InChI=1S/C27H25N5O3S/c1-3-34-23-13-9-20(10-14-23)26-28-25(35-31-26)18-36-27-30-29-24(17-19-7-5-4-6-8-19)32(27)21-11-15-22(33-2)16-12-21/h4-16H,3,17-18H2,1-2H3

InChI Key

RFDBSOYZTCLPRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14812511

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.920

Distribution Coefficient, logD

5.920

Water Solubility, LogSw

-5.72

Polar Surface Area

71.699

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

4.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

D141-0247 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with D141-0247 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D141-0247?
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What is the minimum amount of D141-0247 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D141-0247
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D141-0247
  • 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 D141-0247 available by request