P495-3742 Screening compound: N-(5-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,2,4-thiadiazol-3-yl)acetamide

P495-3742 Screening compound: N-(5-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,2,4-thiadiazol-3-yl)acetamide
P495-3742 Screening compound: N-(5-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,2,4-thiadiazol-3-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P495-3742
N-(5-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}-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

P495-3742

Molecular Formula

C21H28N6O3S (C21 H28 N6 O3 S)

Compound Name

N-(5-{4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]piperidin-1-yl}-1,2,4-thiadiazol-3-yl)acetamide

IUPAC name

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

SMILES

CC(Nc1nsc(N(CC2)CCC2C(N(CC2)CCN2c(cc2)ccc2OC)=O)n1)=O

InChI

InChI=1S/C21H28N6O3S/c1-15(28)22-20-23-21(31-24-20)27-9-7-16(8-10-27)19(29)26-13-11-25(12-14-26)17-3-5-18(30-2)6-4-17/h3-6,16H,7-14H2,1-2H3,(H,22,24,28)

InChI Key

XWCPUUDPYVOSMN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27576008

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

2.312

Distribution Coefficient, logD

2.312

Water Solubility, LogSw

-2.81

Polar Surface Area

76.173

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.40

P495-3742 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 P495-3742 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P495-3742?
Check Price and Availability of P495-3742, 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 P495-3742 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P495-3742
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P495-3742
  • 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 P495-3742 available by request