8020-8132 Screening compound: 3-ethyl-1-[3-ethyl-1,3-benzothiazol-2(3H)-yliden]-2-pentanethione

8020-8132 Screening compound: 3-ethyl-1-[3-ethyl-1,3-benzothiazol-2(3H)-yliden]-2-pentanethione
8020-8132 Screening compound: 3-ethyl-1-[3-ethyl-1,3-benzothiazol-2(3H)-yliden]-2-pentanethione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8132
3-ethyl-1-[3-ethyl-1,3-benzothiazol-2(3H)-yliden]-2-pentanethione

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

8020-8132

Molecular Formula

C16H21NS2 (C16 H21 NS2)

Compound Name

3-ethyl-1-[3-ethyl-1,3-benzothiazol-2(3H)-yliden]-2-pentanethione

IUPAC name

3-ethyl-1-[(2Z)-3-ethyl-23-dihydro-13-benzothiazol-2-ylidene]pentane-2-thione

SMILES

CCC(CC)C(/C=C1\Sc(cccc2)c2N1CC)=S

InChI

InChI=1S/C16H21NS2/c1-4-12(5-2)14(18)11-16-17(6-3)13-9-7-8-10-15(13)19-16/h7-12H,4-6H2,1-3H3

InChI Key

XXBLHOPQYJKTTO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28404506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.568

Distribution Coefficient, logD

5.567

Water Solubility, LogSw

-5.58

Polar Surface Area

1.648

Acid Dissociation Constant (pKa)

26.49

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

References: we are preparing a list of scientific research reports with 8020-8132 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8132?
Check Price and Availability of 8020-8132, 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 8020-8132 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8132
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8132
  • 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 8020-8132 available by request