2422-1296 Screening compound: 1-[(2E)-5-chloro-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]butane-2-thione

2422-1296 Screening compound: 1-[(2E)-5-chloro-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]butane-2-thione
2422-1296 Screening compound: 1-[(2E)-5-chloro-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]butane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 2422-1296
1-[(2E)-5-chloro-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]butane-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

2422-1296

Molecular Formula

C13H14ClNS2 (C13 H14 ClNS2)

Compound Name

1-[(2E)-5-chloro-3-ethyl-2,3-dihydro-1,3-benzothiazol-2-ylidene]butane-2-thione

IUPAC name

1-[(2E)-5-chloro-3-ethyl-23-dihydro-13-benzothiazol-2-ylidene]butane-2-thione

SMILES

CCC(/C=C1/Sc(ccc(Cl)c2)c2N1CC)=S

InChI

InChI=1S/C13H14ClNS2/c1-3-10(16)8-13-15(4-2)11-7-9(14)5-6-12(11)17-13/h5-8H,3-4H2,1-2H3

InChI Key

BBLSSFFGZOKVSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02627110

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.85

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

4.899

Distribution Coefficient, logD

4.898

Water Solubility, LogSw

-4.76

Polar Surface Area

1.648

Acid Dissociation Constant (pKa)

26.97

Base Dissociation Constant (pKb)

-3.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

References: we are preparing a list of scientific research reports with 2422-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2422-1296?
Check Price and Availability of 2422-1296, 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 2422-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2422-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2422-1296
  • 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 2422-1296 available by request