C782-0498 Screening compound: 1-{[1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-3-PIPERIDYL]CARBONYL}-4-PIPERIDINECARBOXAMIDE

C782-0498 Screening compound: 1-{[1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-3-PIPERIDYL]CARBONYL}-4-PIPERIDINECARBOXAMIDE
C782-0498 Screening compound: 1-{[1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-3-PIPERIDYL]CARBONYL}-4-PIPERIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound C782-0498
1-{[1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-3-PIPERIDYL]CARBONYL}-4-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

C782-0498

Molecular Formula

C21H28N4O3S (C21 H28 N4 O3 S)

Compound Name

1-{[1-(6-ETHOXY-1,3-BENZOTHIAZOL-2-YL)-3-PIPERIDYL]CARBONYL}-4-PIPERIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

CCOc(cc1)cc2c1nc(N(CCC1)CC1C(N(CC1)CCC1C(N)=O)=O)s2

InChI

InChI=1S/C21H28N4O3S/c1-2-28-16-5-6-17-18(12-16)29-21(23-17)25-9-3-4-15(13-25)20(27)24-10-7-14(8-11-24)19(22)26/h5-6,12,14-15H,2-4,7-11,13H2,1H3,(H2,22,26)/t15-/m0/s1

InChI Key

SXSIEXDHURGXDP-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14794015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.503

Distribution Coefficient, logD

2.503

Water Solubility, LogSw

-2.93

Polar Surface Area

70.991

Acid Dissociation Constant (pKa)

14.92

Base Dissociation Constant (pKb)

3.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

C782-0498 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C782-0498 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C782-0498?
Check Price and Availability of C782-0498, 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 C782-0498 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C782-0498
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C782-0498
  • 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 C782-0498 available by request