D216-0552 Screening compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(3,5-difluorobenzoyl)piperidine-3-carboxamide

D216-0552 Screening compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(3,5-difluorobenzoyl)piperidine-3-carboxamide
D216-0552 Screening compound: N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(3,5-difluorobenzoyl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D216-0552
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(3,5-difluorobenzoyl)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

D216-0552

Molecular Formula

C22H23F2N3O3S (C22 H23 F2 N3 O3 S)

Compound Name

N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(3,5-difluorobenzoyl)piperidine-3-carboxamide

IUPAC name

N-(3-carbamoyl-4567-tetrahydro-1-benzothiophen-2-yl)-1-(35-difluorobenzoyl)piperidine-3-carboxamide

SMILES

NC(c1c(NC(C(CCC2)CN2C(c2cc(F)cc(F)c2)=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C22H23F2N3O3S/c23-14-8-13(9-15(24)10-14)22(30)27-7-3-4-12(11-27)20(29)26-21-18(19(25)28)16-5-1-2-6-17(16)31-21/h8-10,12H,1-7,11H2,(H2,25,28)(H,26,29)/t12-/m0/s1

InChI Key

JLIGWMBLXIFACM-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD14814407

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.059

Distribution Coefficient, logD

1.219

Water Solubility, LogSw

-2.80

Polar Surface Area

73.685

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-2.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

D216-0552 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Others
  • GPCR
Mechanism of action:
  • Epigenetic
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D216-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D216-0552?
Check Price and Availability of D216-0552, 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 D216-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D216-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D216-0552
  • 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 D216-0552 available by request