8014-9454 Screening compound: N,N-dimethyl-N-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl]amine

8014-9454 Screening compound: N,N-dimethyl-N-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl]amine
8014-9454 Screening compound: N,N-dimethyl-N-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-9454
N,N-dimethyl-N-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl]amine

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

8014-9454

Molecular Formula

C12H14N4S2 (C12 H14 N4 S2)

Compound Name

N,N-dimethyl-N-[2-([1,2,4]triazolo[3,4-b][1,3]benzothiazol-3-ylsulfanyl)ethyl]amine

IUPAC name

dimethyl(2-{7-thia-245-triazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaen-3-ylsulfanyl}ethyl)amine

SMILES

CN(C)CCSc1nnc2sc(cccc3)c3n12

InChI

InChI=1S/C12H14N4S2/c1-15(2)7-8-17-11-13-14-12-16(11)9-5-3-4-6-10(9)18-12/h3-6H,7-8H2,1-2H3

InChI Key

CDFOUWJQPXLDGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03821149

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

278.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.119

Distribution Coefficient, logD

-0.233

Water Solubility, LogSw

-1.96

Polar Surface Area

26.444

Acid Dissociation Constant (pKa)

24.64

Base Dissociation Constant (pKb)

9.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

8014-9454 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8014-9454 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-9454?
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What is the minimum amount of 8014-9454 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-9454
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-9454
  • 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 8014-9454 available by request