C782-1216 Screening compound: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-piperidinecarboxamide

C782-1216 Screening compound: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-piperidinecarboxamide
C782-1216 Screening compound: 1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-1216
1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-piperidinecarboxamide

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

C782-1216

Molecular Formula

C22H30N4O2S (C22 H30 N4 O2 S)

Compound Name

1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-N-[3-(2-oxo-1-pyrrolidinyl)propyl]-4-piperidinecarboxamide

IUPAC name

1-(46-dimethyl-13-benzothiazol-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]piperidine-4-carboxamide

SMILES

Cc(cc1C)cc2c1nc(N(CC1)CCC1C(NCCCN(CCC1)C1=O)=O)s2

InChI

InChI=1S/C22H30N4O2S/c1-15-13-16(2)20-18(14-15)29-22(24-20)26-11-6-17(7-12-26)21(28)23-8-4-10-25-9-3-5-19(25)27/h13-14,17H,3-12H2,1-2H3,(H,23,28)

InChI Key

DLCXUBUWNOIPNN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14794084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.775

Distribution Coefficient, logD

2.774

Water Solubility, LogSw

-3.02

Polar Surface Area

55.764

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

4.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

59.09

C782-1216 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-Inflammatory Library (24602 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C782-1216 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-1216?
Check Price and Availability of C782-1216, 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 C782-1216 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-1216
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-1216
  • 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 C782-1216 available by request