4454-0022 Screening compound: bis[(2-aminoethyl)sulfanyl]-2H-1,3-dithiole-2-thione

4454-0022 Screening compound: bis[(2-aminoethyl)sulfanyl]-2H-1,3-dithiole-2-thione
4454-0022 Screening compound: bis[(2-aminoethyl)sulfanyl]-2H-1,3-dithiole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4454-0022
bis[(2-aminoethyl)sulfanyl]-2H-1,3-dithiole-2-thione

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

4454-0022

Molecular Formula

C7H12N2S5 (C7 H12 N2 S5)

Compound Name

bis[(2-aminoethyl)sulfanyl]-2H-1,3-dithiole-2-thione

IUPAC name

bis[(2-aminoethyl)sulfanyl]-2H-13-dithiole-2-thione

SMILES

NCCSC(S1)=C(SCCN)SC1=S

InChI

InChI=1S/C7H12N2S5/c8-1-3-11-5-6(12-4-2-9)14-7(10)13-5/h1-4,8-9H2

InChI Key

BLYODLNRWWMGGM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01142902

Chemical and Physical Properties

Saltdata

2HBr

Molecular Weight

284.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

1.257

Distribution Coefficient, logD

-0.565

Water Solubility, LogSw

-1.25

Polar Surface Area

43.108

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

9.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

4454-0022 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4454-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4454-0022?
Check Price and Availability of 4454-0022, 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 4454-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4454-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4454-0022
  • 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 4454-0022 available by request