E513-0106 Screening compound: 4-chlorobenzyl thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl sulfide

E513-0106 Screening compound: 4-chlorobenzyl thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl sulfide
E513-0106 Screening compound: 4-chlorobenzyl thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-0106
4-chlorobenzyl thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl sulfide

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

E513-0106

Molecular Formula

C15H10ClN3S2 (C15 H10 ClN3 S2)

Compound Name

4-chlorobenzyl thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl sulfide

IUPAC name

9-{[(4-chlorophenyl)methyl]sulfanyl}-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

Clc1ccc(CSc2nncn3c2cc2c3ccs2)cc1

InChI

InChI=1S/C15H10ClN3S2/c16-11-3-1-10(2-4-11)8-21-15-13-7-14-12(5-6-20-14)19(13)9-17-18-15/h1-7,9H,8H2

InChI Key

CMGLYKQZSBFNGA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.882

Distribution Coefficient, logD

3.882

Water Solubility, LogSw

-4.39

Polar Surface Area

21.943

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.70

E513-0106 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E513-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-0106?
Check Price and Availability of E513-0106, 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 E513-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-0106
  • 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 E513-0106 available by request