P018-0578 Screening compound: 1-ACETYL-N-{[5-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-2-THIENYL]METHYL}-4-PIPERIDINECARBOXAMIDE

P018-0578 Screening compound: 1-ACETYL-N-{[5-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-2-THIENYL]METHYL}-4-PIPERIDINECARBOXAMIDE
P018-0578 Screening compound: 1-ACETYL-N-{[5-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-2-THIENYL]METHYL}-4-PIPERIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P018-0578
1-ACETYL-N-{[5-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-2-THIENYL]METHYL}-4-PIPERIDINECARBOXAMIDE

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

P018-0578

Molecular Formula

C21H22N4O3S (C21 H22 N4 O3 S)

Compound Name

1-ACETYL-N-{[5-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-2-THIENYL]METHYL}-4-PIPERIDINECARBOXAMIDE

IUPAC name

1-acetyl-N-{[5-(3-phenyl-124-oxadiazol-5-yl)thiophen-2-yl]methyl}piperidine-4-carboxamide

SMILES

CC(N(CC1)CCC1C(NCc1ccc(-c2nc(-c3ccccc3)no2)s1)=O)=O

InChI

InChI=1S/C21H22N4O3S/c1-14(26)25-11-9-16(10-12-25)20(27)22-13-17-7-8-18(29-17)21-23-19(24-28-21)15-5-3-2-4-6-15/h2-8,16H,9-13H2,1H3,(H,22,27)

InChI Key

AQEITWKRKPZWRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27558677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.270

Distribution Coefficient, logD

3.270

Water Solubility, LogSw

-3.15

Polar Surface Area

74.464

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

6.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

P018-0578 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)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P018-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P018-0578?
Check Price and Availability of P018-0578, 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 P018-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P018-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P018-0578
  • 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 P018-0578 available by request