5174-2871 Screening compound: butyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate

5174-2871 Screening compound: butyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate
5174-2871 Screening compound: butyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5174-2871
butyl N-(6-methyl-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

5174-2871

Molecular Formula

C13H16N2O2S (C13 H16 N2 O2 S)

Compound Name

butyl N-(6-methyl-1,3-benzothiazol-2-yl)carbamate

IUPAC name

butyl N-(6-methyl-13-benzothiazol-2-yl)carbamate

SMILES

CCCCOC(Nc1nc(ccc(C)c2)c2s1)=O

InChI

InChI=1S/C13H16N2O2S/c1-3-4-7-17-13(16)15-12-14-10-6-5-9(2)8-11(10)18-12/h5-6,8H,3-4,7H2,1-2H3,(H,14,15,16)

InChI Key

MBNOCVDFHFNNNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02965310

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.35

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

4.686

Distribution Coefficient, logD

4.686

Water Solubility, LogSw

-4.37

Polar Surface Area

41.738

Acid Dissociation Constant (pKa)

10.67

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

5174-2871 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 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 5174-2871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5174-2871?
Check Price and Availability of 5174-2871, 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 5174-2871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5174-2871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5174-2871
  • 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 5174-2871 available by request