C782-0251 Screening compound: 2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-6-ethoxy-1,3-benzothiazole

C782-0251 Screening compound: 2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-6-ethoxy-1,3-benzothiazole
C782-0251 Screening compound: 2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-6-ethoxy-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-0251
2-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]-6-ethoxy-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

C782-0251

Molecular Formula

C26H32N4O2S (C26 H32 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCOc(cc1)cc2c1nc(N(CC1)CCC1C(N1CCN(Cc3ccccc3)CC1)=O)s2

InChI

InChI=1S/C26H32N4O2S/c1-2-32-22-8-9-23-24(18-22)33-26(27-23)30-12-10-21(11-13-30)25(31)29-16-14-28(15-17-29)19-20-6-4-3-5-7-20/h3-9,18,21H,2,10-17,19H2,1H3

InChI Key

TWCKHJJOSFNRTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793922

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.63

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.511

Distribution Coefficient, logD

4.459

Water Solubility, LogSw

-4.24

Polar Surface Area

40.539

Acid Dissociation Constant (pKa)

21.91

Base Dissociation Constant (pKb)

6.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

C782-0251 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 C782-0251 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-0251?
Check Price and Availability of C782-0251, 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 C782-0251 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-0251
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-0251
  • 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 C782-0251 available by request