C795-1031 Screening compound: N-cyclopentyl-1-[6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide

C795-1031 Screening compound: N-cyclopentyl-1-[6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide
C795-1031 Screening compound: N-cyclopentyl-1-[6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-1031
N-cyclopentyl-1-[6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]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

C795-1031

Molecular Formula

C23H29N5OS (C23 H29 N5 OS)

Compound Name

N-cyclopentyl-1-[6-(4-ethylphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-yl]piperidine-4-carboxamide

IUPAC name

N-cyclopentyl-1-[6-(4-ethylphenyl)imidazo[21-b][134]thiadiazol-2-yl]piperidine-4-carboxamide

SMILES

CCc(cc1)ccc1-c1cn2nc(N(CC3)CCC3C(NC3CCCC3)=O)sc2n1

InChI

InChI=1S/C23H29N5OS/c1-2-16-7-9-17(10-8-16)20-15-28-22(25-20)30-23(26-28)27-13-11-18(12-14-27)21(29)24-19-5-3-4-6-19/h7-10,15,18-19H,2-6,11-14H2,1H3,(H,24,29)

InChI Key

LKQJGCTWDPNQJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14797196

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.58

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.923

Distribution Coefficient, logD

4.922

Water Solubility, LogSw

-4.36

Polar Surface Area

49.031

Acid Dissociation Constant (pKa)

15.70

Base Dissociation Constant (pKb)

4.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.20

C795-1031 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Kinases
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C795-1031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-1031?
Check Price and Availability of C795-1031, 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 C795-1031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-1031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-1031
  • 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 C795-1031 available by request