E513-0829 Screening compound: 2-(3,4-dimethoxyphenyl)-5-methyl-4-{[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]methyl}-1,3-oxazole

E513-0829 Screening compound: 2-(3,4-dimethoxyphenyl)-5-methyl-4-{[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]methyl}-1,3-oxazole
E513-0829 Screening compound: 2-(3,4-dimethoxyphenyl)-5-methyl-4-{[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]methyl}-1,3-oxazole alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-0829
2-(3,4-dimethoxyphenyl)-5-methyl-4-{[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]methyl}-1,3-oxazole

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

E513-0829

Molecular Formula

C22H20N4O3S2 (C22 H20 N4 O3 S2)

Compound Name

2-(3,4-dimethoxyphenyl)-5-methyl-4-{[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]methyl}-1,3-oxazole

IUPAC name

9-({[2-(34-dimethoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}sulfanyl)-12-methyl-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

Cc1c(CSc2nnc(C)n3c2cc2c3ccs2)nc(-c(cc2)cc(OC)c2OC)o1

InChI

InChI=1S/C22H20N4O3S2/c1-12-15(23-21(29-12)14-5-6-18(27-3)19(9-14)28-4)11-31-22-17-10-20-16(7-8-30-20)26(17)13(2)24-25-22/h5-10H,11H2,1-4H3

InChI Key

XGOJUULHHMNWKK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.889

Distribution Coefficient, logD

3.886

Water Solubility, LogSw

-4.07

Polar Surface Area

55.497

Acid Dissociation Constant (pKa)

26.01

Base Dissociation Constant (pKb)

5.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

E513-0829 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Anti-Inflammatory Library (24602 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E513-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-0829?
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What is the minimum amount of E513-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-0829
  • 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 E513-0829 available by request