C540-0136 Screening compound: 2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

C540-0136 Screening compound: 2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline
C540-0136 Screening compound: 2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C540-0136
2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

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

C540-0136

Molecular Formula

C22H18FN3OS (C22 H18 FN3 OS)

Compound Name

2-[6-(4-fluorophenyl)-3-methylimidazo[2,1-b][1,3]thiazole-2-carbonyl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[6-(4-fluorophenyl)-3-methylimidazo[21-b][13]thiazole-2-carbonyl]-1234-tetrahydroisoquinoline

SMILES

Cc1c(C(N(CC2)Cc3c2cccc3)=O)sc2nc(-c(cc3)ccc3F)cn12

InChI

InChI=1S/C22H18FN3OS/c1-14-20(21(27)25-11-10-15-4-2-3-5-17(15)12-25)28-22-24-19(13-26(14)22)16-6-8-18(23)9-7-16/h2-9,13H,10-12H2,1H3

InChI Key

AXGULKWVACORSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04468980

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.717

Distribution Coefficient, logD

4.716

Water Solubility, LogSw

-4.33

Polar Surface Area

25.752

Acid Dissociation Constant (pKa)

25.61

Base Dissociation Constant (pKb)

4.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C540-0136 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 C540-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C540-0136?
Check Price and Availability of C540-0136, 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 C540-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C540-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C540-0136
  • 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 C540-0136 available by request