E513-1199 Screening compound: 3-chlorobenzyl (5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl) sulfide

E513-1199 Screening compound: 3-chlorobenzyl (5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl) sulfide
E513-1199 Screening compound: 3-chlorobenzyl (5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl) sulfide alternative view

Chemical Structure Depiction of ChemDiv screening compound E513-1199
3-chlorobenzyl (5-ethyl-2-methylthieno[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

E513-1199

Molecular Formula

C18H16ClN3S2 (C18 H16 ClN3 S2)

Compound Name

3-chlorobenzyl (5-ethyl-2-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl) sulfide

IUPAC name

9-{[(3-chlorophenyl)methyl]sulfanyl}-12-ethyl-4-methyl-5-thia-11011-triazatricyclo[6.4.0.0^{26}]dodeca-2(6)37911-pentaene

SMILES

CCc(n1c2cc3c1cc(C)s3)nnc2SCc1cccc(Cl)c1

InChI

InChI=1S/C18H16ClN3S2/c1-3-17-20-21-18(23-10-12-5-4-6-13(19)8-12)15-9-16-14(22(15)17)7-11(2)24-16/h4-9H,3,10H2,1-2H3

InChI Key

OLLBSIAMBLFETH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.93

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.589

Distribution Coefficient, logD

5.588

Water Solubility, LogSw

-5.91

Polar Surface Area

22.314

Acid Dissociation Constant (pKa)

24.06

Base Dissociation Constant (pKb)

-1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

E513-1199 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E513-1199 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-1199?
Check Price and Availability of E513-1199, 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 E513-1199 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-1199
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-1199
  • 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 E513-1199 available by request