5400-0803 Screening compound: 2-[5-chloro-4-(4-methylbenzenesulfonyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline

5400-0803 Screening compound: 2-[5-chloro-4-(4-methylbenzenesulfonyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline
5400-0803 Screening compound: 2-[5-chloro-4-(4-methylbenzenesulfonyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 5400-0803
2-[5-chloro-4-(4-methylbenzenesulfonyl)-1,3-thiazol-2-yl]-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

5400-0803

Molecular Formula

C19H17ClN2O2S2 (C19 H17 ClN2 O2 S2)

Compound Name

2-[5-chloro-4-(4-methylbenzenesulfonyl)-1,3-thiazol-2-yl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[5-chloro-4-(4-methylbenzenesulfonyl)-13-thiazol-2-yl]-1234-tetrahydroisoquinoline

SMILES

Cc(cc1)ccc1S(c(nc(N(CC1)Cc2c1cccc2)s1)c1Cl)(=O)=O

InChI

InChI=1S/C19H17ClN2O2S2/c1-13-6-8-16(9-7-13)26(23,24)18-17(20)25-19(21-18)22-11-10-14-4-2-3-5-15(14)12-22/h2-9H,10-12H2,1H3

InChI Key

SMUDPLMWQILIOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02696767

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.94

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.569

Distribution Coefficient, logD

5.569

Water Solubility, LogSw

-5.91

Polar Surface Area

43.219

Acid Dissociation Constant (pKa)

19.19

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

5400-0803 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

CNS Annotated Library (688 compounds)

Human GPCR Annotated Library (5539 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5400-0803 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5400-0803?
Check Price and Availability of 5400-0803, 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 5400-0803 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5400-0803
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5400-0803
  • 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 5400-0803 available by request