3931-1393 Screening compound: BUTYL N-(1,3-BENZOTHIAZOL-2-YL)CARBAMATE

3931-1393 Screening compound: BUTYL N-(1,3-BENZOTHIAZOL-2-YL)CARBAMATE
3931-1393 Screening compound: BUTYL N-(1,3-BENZOTHIAZOL-2-YL)CARBAMATE alternative view

Chemical Structure Depiction of ChemDiv screening compound 3931-1393
BUTYL N-(1,3-BENZOTHIAZOL-2-YL)CARBAMATE

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

3931-1393

Molecular Formula

C12H14N2O2S (C12 H14 N2 O2 S)

Compound Name

BUTYL N-(1,3-BENZOTHIAZOL-2-YL)CARBAMATE

IUPAC name

n/a

SMILES

CCCCOC(Nc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C12H14N2O2S/c1-2-3-8-16-12(15)14-11-13-9-6-4-5-7-10(9)17-11/h4-7H,2-3,8H2,1H3,(H,13,14,15)

InChI Key

MOCSGTGJXPZQJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02358147

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

250.32

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.298

Distribution Coefficient, logD

4.297

Water Solubility, LogSw

-4.13

Polar Surface Area

41.738

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

1.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

3931-1393 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3931-1393 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3931-1393?
Check Price and Availability of 3931-1393, 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 3931-1393 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3931-1393
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3931-1393
  • 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 3931-1393 available by request