E513-0098 Screening compound: 1-morpholino-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)-1-butanone

E513-0098 Screening compound: 1-morpholino-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)-1-butanone
E513-0098 Screening compound: 1-morpholino-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)-1-butanone alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-0098
1-morpholino-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)-1-butanone

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

E513-0098

Molecular Formula

C16H18N4O2S2 (C16 H18 N4 O2 S2)

Compound Name

1-morpholino-2-(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-ylsulfanyl)-1-butanone

IUPAC name

n/a

SMILES

CCC(C(N1CCOCC1)=O)Sc1nncn2c1cc1c2ccs1

InChI

InChI=1S/C16H18N4O2S2/c1-2-13(16(21)19-4-6-22-7-5-19)24-15-12-9-14-11(3-8-23-14)20(12)10-17-18-15/h3,8-10,13H,2,4-7H2,1H3/t13-/m0/s1

InChI Key

GDFDTEGRXAJWTQ-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14893404

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

362.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.129

Distribution Coefficient, logD

2.129

Water Solubility, LogSw

-2.59

Polar Surface Area

46.772

Acid Dissociation Constant (pKa)

19.20

Base Dissociation Constant (pKb)

4.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.75

E513-0098 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E513-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-0098?
Check Price and Availability of E513-0098, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E513-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-0098
  • 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 E513-0098 available by request