E798-0684 Screening compound: 3-({[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5,6-bis(4-methoxyphenyl)-1,2,4-triazine

E798-0684 Screening compound: 3-({[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5,6-bis(4-methoxyphenyl)-1,2,4-triazine
E798-0684 Screening compound: 3-({[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5,6-bis(4-methoxyphenyl)-1,2,4-triazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E798-0684
3-({[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5,6-bis(4-methoxyphenyl)-1,2,4-triazine

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

E798-0684

Molecular Formula

C30H28N4O5S (C30 H28 N4 O5 S)

Compound Name

3-({[2-(2,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}sulfanyl)-5,6-bis(4-methoxyphenyl)-1,2,4-triazine

IUPAC name

3-({[2-(24-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-56-bis(4-methoxyphenyl)-124-triazine

SMILES

Cc1c(CSc2nnc(-c(cc3)ccc3OC)c(-c(cc3)ccc3OC)n2)nc(-c(ccc(OC)c2)c2OC)o1

InChI

InChI=1S/C30H28N4O5S/c1-18-25(31-29(39-18)24-15-14-23(37-4)16-26(24)38-5)17-40-30-32-27(19-6-10-21(35-2)11-7-19)28(33-34-30)20-8-12-22(36-3)13-9-20/h6-16H,17H2,1-5H3

InChI Key

LRLYWZUDCAXQJS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920062

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

556.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.757

Distribution Coefficient, logD

5.757

Water Solubility, LogSw

-5.63

Polar Surface Area

79.769

Acid Dissociation Constant (pKa)

24.94

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

E798-0684 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E798-0684 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E798-0684?
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What is the minimum amount of E798-0684 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E798-0684
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E798-0684
  • 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 E798-0684 available by request