C848-0236 Screening compound: 2-[2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline

C848-0236 Screening compound: 2-[2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline
C848-0236 Screening compound: 2-[2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0236
2-[2-(ethanesulfonyl)-4-(4-methylbenzenesulfonyl)-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

C848-0236

Molecular Formula

C21H22N2O4S3 (C21 H22 N2 O4 S3)

Compound Name

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

IUPAC name

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

SMILES

CCS(c1nc(S(c2ccc(C)cc2)(=O)=O)c(N(CC2)Cc3c2cccc3)s1)(=O)=O

InChI

InChI=1S/C21H22N2O4S3/c1-3-29(24,25)21-22-19(30(26,27)18-10-8-15(2)9-11-18)20(28-21)23-13-12-16-6-4-5-7-17(16)14-23/h4-11H,3,12-14H2,1-2H3

InChI Key

MIBJPTRLYFOIHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05898856

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.61

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

4.653

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.29

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

28.60

C848-0236 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C848-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0236?
Check Price and Availability of C848-0236, 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 C848-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0236
  • 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 C848-0236 available by request