6456-0414 Screening compound: (1,3-benzothiazol-2-ylsulfanyl)methyl morpholine-4-carbodithioate

6456-0414 Screening compound: (1,3-benzothiazol-2-ylsulfanyl)methyl morpholine-4-carbodithioate
6456-0414 Screening compound: (1,3-benzothiazol-2-ylsulfanyl)methyl morpholine-4-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6456-0414
(1,3-benzothiazol-2-ylsulfanyl)methyl morpholine-4-carbodithioate

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

6456-0414

Molecular Formula

C13H14N2OS4 (C13 H14 N2 OS4)

Compound Name

(1,3-benzothiazol-2-ylsulfanyl)methyl morpholine-4-carbodithioate

IUPAC name

(13-benzothiazol-2-ylsulfanyl)methyl morpholine-4-carbodithioate

SMILES

S=C(N1CCOCC1)SCSc1nc(cccc2)c2s1

InChI

InChI=1S/C13H14N2OS4/c17-13(15-5-7-16-8-6-15)19-9-18-12-14-10-3-1-2-4-11(10)20-12/h1-4H,5-9H2

InChI Key

HBJBBNSRRAJFEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03904178

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.027

Distribution Coefficient, logD

4.027

Water Solubility, LogSw

-4.23

Polar Surface Area

20.049

Acid Dissociation Constant (pKa)

29.10

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 6456-0414 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6456-0414?
Check Price and Availability of 6456-0414, 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 6456-0414 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6456-0414
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6456-0414
  • 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 6456-0414 available by request