C848-0014 Screening compound: 1-[2-methanesulfonyl-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]azepane

C848-0014 Screening compound: 1-[2-methanesulfonyl-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]azepane
C848-0014 Screening compound: 1-[2-methanesulfonyl-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound C848-0014
1-[2-methanesulfonyl-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]azepane

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

C848-0014

Molecular Formula

C17H22N2O4S3 (C17 H22 N2 O4 S3)

Compound Name

1-[2-methanesulfonyl-4-(4-methylbenzenesulfonyl)-1,3-thiazol-5-yl]azepane

IUPAC name

1-[2-methanesulfonyl-4-(4-methylbenzenesulfonyl)-13-thiazol-5-yl]azepane

SMILES

Cc(cc1)ccc1S(c1c(N2CCCCCC2)sc(S(C)(=O)=O)n1)(=O)=O

InChI

InChI=1S/C17H22N2O4S3/c1-13-7-9-14(10-8-13)26(22,23)15-16(19-11-5-3-4-6-12-19)24-17(18-15)25(2,20)21/h7-10H,3-6,11-12H2,1-2H3

InChI Key

NFCKXFSQURHBSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06401834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.694

Distribution Coefficient, logD

3.694

Water Solubility, LogSw

-3.72

Polar Surface Area

73.648

Acid Dissociation Constant (pKa)

23.90

Base Dissociation Constant (pKb)

-5.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

C848-0014 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C848-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C848-0014?
Check Price and Availability of C848-0014, 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 C848-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C848-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C848-0014
  • 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 C848-0014 available by request