C782-0471 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxamide

C782-0471 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxamide
C782-0471 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-0471
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-ethoxyphenyl)ethyl]piperidine-3-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

C782-0471

Molecular Formula

C25H31N3O3S (C25 H31 N3 O3 S)

Compound Name

1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxamide

IUPAC name

1-(6-ethoxy-13-benzothiazol-2-yl)-N-[2-(4-ethoxyphenyl)ethyl]piperidine-3-carboxamide

SMILES

CCOc1ccc(CCNC(C(CCC2)CN2c2nc(ccc(OCC)c3)c3s2)=O)cc1

InChI

InChI=1S/C25H31N3O3S/c1-3-30-20-9-7-18(8-10-20)13-14-26-24(29)19-6-5-15-28(17-19)25-27-22-12-11-21(31-4-2)16-23(22)32-25/h7-12,16,19H,3-6,13-15,17H2,1-2H3,(H,26,29)/t19-/m0/s1

InChI Key

RLFCMYKJIPXJIK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14794007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.61

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.807

Distribution Coefficient, logD

4.806

Water Solubility, LogSw

-4.52

Polar Surface Area

51.662

Acid Dissociation Constant (pKa)

13.86

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

References: we are preparing a list of scientific research reports with C782-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-0471?
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What is the minimum amount of C782-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-0471
  • 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 C782-0471 available by request