C782-0098 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

C782-0098 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide
C782-0098 Screening compound: 1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-0098
1-(6-ethoxy-1,3-benzothiazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-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

C782-0098

Molecular Formula

C23H27N3O3S (C23 H27 N3 O3 S)

Compound Name

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

IUPAC name

1-(6-ethoxy-13-benzothiazol-2-yl)-N-[(2-methoxyphenyl)methyl]piperidine-4-carboxamide

SMILES

CCOc(cc1)cc2c1nc(N(CC1)CCC1C(NCc(cccc1)c1OC)=O)s2

InChI

InChI=1S/C23H27N3O3S/c1-3-29-18-8-9-19-21(14-18)30-23(25-19)26-12-10-16(11-13-26)22(27)24-15-17-6-4-5-7-20(17)28-2/h4-9,14,16H,3,10-13,15H2,1-2H3,(H,24,27)

InChI Key

WPXFLTXZNFFBGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14793865

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.503

Distribution Coefficient, logD

4.498

Water Solubility, LogSw

-4.24

Polar Surface Area

52.394

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

References: we are preparing a list of scientific research reports with C782-0098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-0098?
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What is the minimum amount of C782-0098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-0098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-0098
  • 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 C782-0098 available by request