P495-4004 Screening compound: N~1~-[5-(3-{[4-(4-methoxyphenyl)piperazino]carbonyl}piperidino)-1,2,4-thiadiazol-3-yl]acetamide

P495-4004 Screening compound: N~1~-[5-(3-{[4-(4-methoxyphenyl)piperazino]carbonyl}piperidino)-1,2,4-thiadiazol-3-yl]acetamide
P495-4004 Screening compound: N~1~-[5-(3-{[4-(4-methoxyphenyl)piperazino]carbonyl}piperidino)-1,2,4-thiadiazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P495-4004
N~1~-[5-(3-{[4-(4-methoxyphenyl)piperazino]carbonyl}piperidino)-1,2,4-thiadiazol-3-yl]acetamide

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

P495-4004

Molecular Formula

C21H28N6O3S (C21 H28 N6 O3 S)

Compound Name

N~1~-[5-(3-{[4-(4-methoxyphenyl)piperazino]carbonyl}piperidino)-1,2,4-thiadiazol-3-yl]acetamide

IUPAC name

N-(5-{3-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}-124-thiadiazol-3-yl)acetamide

SMILES

CC(Nc1nsc(N(CCC2)CC2C(N(CC2)CCN2c(cc2)ccc2OC)=O)n1)=O

InChI

InChI=1S/C21H28N6O3S/c1-15(28)22-20-23-21(31-24-20)27-9-3-4-16(14-27)19(29)26-12-10-25(11-13-26)17-5-7-18(30-2)8-6-17/h5-8,16H,3-4,9-14H2,1-2H3,(H,22,24,28)/t16-/m0/s1

InChI Key

HDAITBITSWMNGQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27576033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.241

Distribution Coefficient, logD

2.240

Water Solubility, LogSw

-2.80

Polar Surface Area

76.106

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

P495-4004 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with P495-4004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P495-4004?
Check Price and Availability of P495-4004, 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 P495-4004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P495-4004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P495-4004
  • 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 P495-4004 available by request