C858-1103 Screening compound: 2-(4-methylpiperidin-1-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,3-benzothiazole-6-carboxamide

C858-1103 Screening compound: 2-(4-methylpiperidin-1-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,3-benzothiazole-6-carboxamide
C858-1103 Screening compound: 2-(4-methylpiperidin-1-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,3-benzothiazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C858-1103
2-(4-methylpiperidin-1-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,3-benzothiazole-6-carboxamide

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

C858-1103

Molecular Formula

C23H27N3OS2 (C23 H27 N3 OS2)

Compound Name

2-(4-methylpiperidin-1-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-1,3-benzothiazole-6-carboxamide

IUPAC name

2-(4-methylpiperidin-1-yl)-N-{2-[4-(methylsulfanyl)phenyl]ethyl}-13-benzothiazole-6-carboxamide

SMILES

CC(CC1)CCN1c1nc(ccc(C(NCCc(cc2)ccc2SC)=O)c2)c2s1

InChI

InChI=1S/C23H27N3OS2/c1-16-10-13-26(14-11-16)23-25-20-8-5-18(15-21(20)29-23)22(27)24-12-9-17-3-6-19(28-2)7-4-17/h3-8,15-16H,9-14H2,1-2H3,(H,24,27)

InChI Key

JUCGFXJWCCLWKE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14801434

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.62

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.428

Distribution Coefficient, logD

5.427

Water Solubility, LogSw

-5.40

Polar Surface Area

37.481

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

4.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C858-1103 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C858-1103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C858-1103?
Check Price and Availability of C858-1103, 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 C858-1103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C858-1103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C858-1103
  • 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 C858-1103 available by request