C540-0057 Screening compound: N-(1,3-BENZODIOXOL-5-YLMETHYL)-3-METHYL-6-PHENYLIMIDAZO[2,1-B][1,3]THIAZOLE-2-CARBOXAMIDE

C540-0057 Screening compound: N-(1,3-BENZODIOXOL-5-YLMETHYL)-3-METHYL-6-PHENYLIMIDAZO[2,1-B][1,3]THIAZOLE-2-CARBOXAMIDE
C540-0057 Screening compound: N-(1,3-BENZODIOXOL-5-YLMETHYL)-3-METHYL-6-PHENYLIMIDAZO[2,1-B][1,3]THIAZOLE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0057
N-(1,3-BENZODIOXOL-5-YLMETHYL)-3-METHYL-6-PHENYLIMIDAZO[2,1-B][1,3]THIAZOLE-2-CARBOXAMIDE

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

C540-0057

Molecular Formula

C21H17N3O3S (C21 H17 N3 O3 S)

Compound Name

N-(1,3-BENZODIOXOL-5-YLMETHYL)-3-METHYL-6-PHENYLIMIDAZO[2,1-B][1,3]THIAZOLE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1c(C(NCc(cc2)cc3c2OCO3)=O)sc2nc(-c3ccccc3)cn12

InChI

InChI=1S/C21H17N3O3S/c1-13-19(20(25)22-10-14-7-8-17-18(9-14)27-12-26-17)28-21-23-16(11-24(13)21)15-5-3-2-4-6-15/h2-9,11H,10,12H2,1H3,(H,22,25)

InChI Key

PRVYWQZVSCNDRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04468923

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.040

Distribution Coefficient, logD

4.039

Water Solubility, LogSw

-3.98

Polar Surface Area

50.971

Acid Dissociation Constant (pKa)

13.71

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

C540-0057 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • 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 C540-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0057?
Check Price and Availability of C540-0057, 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 C540-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0057
  • 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 C540-0057 available by request