C782-0394 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N~3~-(1-methyl-3-phenylpropyl)-3-piperidinecarboxamide

C782-0394 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N~3~-(1-methyl-3-phenylpropyl)-3-piperidinecarboxamide
C782-0394 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N~3~-(1-methyl-3-phenylpropyl)-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-0394
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N~3~-(1-methyl-3-phenylpropyl)-3-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

C782-0394

Molecular Formula

C25H31N3O2S (C25 H31 N3 O2 S)

Compound Name

1-(6-ethoxy-1,3-benzothiazol-2-yl)-N~3~-(1-methyl-3-phenylpropyl)-3-piperidinecarboxamide

IUPAC name

1-(6-ethoxy-13-benzothiazol-2-yl)-N-(4-phenylbutan-2-yl)piperidine-3-carboxamide

SMILES

CCOc(cc1)cc2c1nc(N(CCC1)CC1C(NC(C)CCc1ccccc1)=O)s2

InChI

InChI=1S/C25H31N3O2S/c1-3-30-21-13-14-22-23(16-21)31-25(27-22)28-15-7-10-20(17-28)24(29)26-18(2)11-12-19-8-5-4-6-9-19/h4-6,8-9,13-14,16,18,20H,3,7,10-12,15,17H2,1-2H3,(H,26,29)

InChI Key

HVIFXCLHDPVPQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.61

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.444

Distribution Coefficient, logD

5.444

Water Solubility, LogSw

-5.23

Polar Surface Area

44.138

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

9.19

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.00

C782-0394 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C782-0394 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-0394?
Check Price and Availability of C782-0394, 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 C782-0394 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-0394
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-0394
  • 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 C782-0394 available by request