C848-0334 Screening compound: 2-[4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline

C848-0334 Screening compound: 2-[4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline
C848-0334 Screening compound: 2-[4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0334
2-[4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-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

C848-0334

Molecular Formula

C20H19ClN2O4S3 (C20 H19 ClN2 O4 S3)

Compound Name

2-[4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-[4-(4-chlorobenzenesulfonyl)-2-(ethanesulfonyl)-13-thiazol-5-yl]-1234-tetrahydroisoquinoline

SMILES

CCS(c1nc(S(c(cc2)ccc2Cl)(=O)=O)c(N(CC2)Cc3c2cccc3)s1)(=O)=O

InChI

InChI=1S/C20H19ClN2O4S3/c1-2-29(24,25)20-22-18(30(26,27)17-9-7-16(21)8-10-17)19(28-20)23-12-11-14-5-3-4-6-15(14)13-23/h3-10H,2,11-13H2,1H3

InChI Key

XWBNXNPYMCYTKF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.825

Distribution Coefficient, logD

4.825

Water Solubility, LogSw

-4.82

Polar Surface Area

72.266

Acid Dissociation Constant (pKa)

21.54

Base Dissociation Constant (pKb)

-8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C848-0334 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

CNS Annotated Library (688 compounds)

CNS targets activity set (6557 compounds)

Human GPCR Annotated Library (5539 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C848-0334 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0334?
Check Price and Availability of C848-0334, 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 C848-0334 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0334
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0334
  • 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 C848-0334 available by request