C782-0236 Screening compound: 6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1,3-benzothiazole

C782-0236 Screening compound: 6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1,3-benzothiazole
C782-0236 Screening compound: 6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-0236
6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1,3-benzothiazole

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

C782-0236

Molecular Formula

C19H25N3O2S (C19 H25 N3 O2 S)

Compound Name

6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-1,3-benzothiazole

IUPAC name

6-ethoxy-2-[4-(pyrrolidine-1-carbonyl)piperidin-1-yl]-13-benzothiazole

SMILES

CCOc(cc1)cc2c1nc(N(CC1)CCC1C(N1CCCC1)=O)s2

InChI

InChI=1S/C19H25N3O2S/c1-2-24-15-5-6-16-17(13-15)25-19(20-16)22-11-7-14(8-12-22)18(23)21-9-3-4-10-21/h5-6,13-14H,2-4,7-12H2,1H3

InChI Key

HCVGKNLHAJHSPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.979

Distribution Coefficient, logD

3.973

Water Solubility, LogSw

-3.94

Polar Surface Area

37.364

Acid Dissociation Constant (pKa)

21.91

Base Dissociation Constant (pKb)

11.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

C782-0236 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C782-0236 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-0236?
Check Price and Availability of C782-0236, 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 C782-0236 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-0236
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-0236
  • 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 C782-0236 available by request