E513-0890 Screening compound: 2-chloro-4-fluorobenzyl (5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl) sulfide

E513-0890 Screening compound: 2-chloro-4-fluorobenzyl (5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl) sulfide
E513-0890 Screening compound: 2-chloro-4-fluorobenzyl (5-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 E513-0890
2-chloro-4-fluorobenzyl (5-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

E513-0890

Molecular Formula

C16H11ClFN3S2 (C16 H11 ClFN3 S2)

Compound Name

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

IUPAC name

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

SMILES

Cc(n1c2cc3c1ccs3)nnc2SCc(ccc(F)c1)c1Cl

InChI

InChI=1S/C16H11ClFN3S2/c1-9-19-20-16(14-7-15-13(21(9)14)4-5-22-15)23-8-10-2-3-11(18)6-12(10)17/h2-7H,8H2,1H3

InChI Key

MDTQUVFEEWDQDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14893471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.87

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

4.612

Distribution Coefficient, logD

4.612

Water Solubility, LogSw

-4.78

Polar Surface Area

22.114

Acid Dissociation Constant (pKa)

24.91

Base Dissociation Constant (pKb)

-2.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with E513-0890 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E513-0890?
Check Price and Availability of E513-0890, 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 E513-0890 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E513-0890
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E513-0890
  • 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 E513-0890 available by request