C782-0445 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

C782-0445 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide
C782-0445 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-0445
N-{3-[benzyl(ethyl)amino]propyl}-1-(6-ethoxy-1,3-benzothiazol-2-yl)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

C782-0445

Molecular Formula

C27H36N4O2S (C27 H36 N4 O2 S)

Compound Name

N-{3-[benzyl(ethyl)amino]propyl}-1-(6-ethoxy-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

IUPAC name

N-{3-[benzyl(ethyl)amino]propyl}-1-(6-ethoxy-13-benzothiazol-2-yl)piperidine-3-carboxamide

SMILES

CCN(CCCNC(C(CCC1)CN1c1nc(ccc(OCC)c2)c2s1)=O)Cc1ccccc1

InChI

InChI=1S/C27H36N4O2S/c1-3-30(19-21-10-6-5-7-11-21)16-9-15-28-26(32)22-12-8-17-31(20-22)27-29-24-14-13-23(33-4-2)18-25(24)34-27/h5-7,10-11,13-14,18,22H,3-4,8-9,12,15-17,19-20H2,1-2H3,(H,28,32)/t22-/m0/s1

InChI Key

NPRWQVHLSKVUNA-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14793999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.852

Distribution Coefficient, logD

3.205

Water Solubility, LogSw

-4.53

Polar Surface Area

48.225

Acid Dissociation Constant (pKa)

15.00

Base Dissociation Constant (pKb)

9.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with C782-0445 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-0445?
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What is the minimum amount of C782-0445 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-0445
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-0445
  • 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 C782-0445 available by request