P495-3770 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-acetamido-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide

P495-3770 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-acetamido-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide
P495-3770 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-acetamido-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P495-3770
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-acetamido-1,2,4-thiadiazol-5-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

P495-3770

Molecular Formula

C18H21N5O4S (C18 H21 N5 O4 S)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(3-acetamido-1,2,4-thiadiazol-5-yl)piperidine-4-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-(3-acetamido-124-thiadiazol-5-yl)piperidine-4-carboxamide

SMILES

CC(Nc1nsc(N(CC2)CCC2C(NCc(cc2)cc3c2OCO3)=O)n1)=O

InChI

InChI=1S/C18H21N5O4S/c1-11(24)20-17-21-18(28-22-17)23-6-4-13(5-7-23)16(25)19-9-12-2-3-14-15(8-12)27-10-26-14/h2-3,8,13H,4-7,9-10H2,1H3,(H,19,25)(H,20,22,24)

InChI Key

XHRQAEZEWRSZFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.573

Distribution Coefficient, logD

1.573

Water Solubility, LogSw

-2.47

Polar Surface Area

90.249

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

P495-3770 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P495-3770 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P495-3770?
Check Price and Availability of P495-3770, 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 P495-3770 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P495-3770
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P495-3770
  • 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 P495-3770 available by request