P642-0894 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carboxamide

P642-0894 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carboxamide
P642-0894 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P642-0894
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-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

P642-0894

Molecular Formula

C22H23N5O4 (C22 H23 N5 O4)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-3-[2-(4-methylpiperidin-1-yl)pyridin-4-yl]-124-oxadiazole-5-carboxamide

SMILES

CC(CC1)CCN1c1nccc(-c2noc(C(NCc(cc3)cc4c3OCO4)=O)n2)c1

InChI

InChI=1S/C22H23N5O4/c1-14-5-8-27(9-6-14)19-11-16(4-7-23-19)20-25-22(31-26-20)21(28)24-12-15-2-3-17-18(10-15)30-13-29-17/h2-4,7,10-11,14H,5-6,8-9,12-13H2,1H3,(H,24,28)

InChI Key

YYJCOUVMLAKJNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.212

Distribution Coefficient, logD

4.211

Water Solubility, LogSw

-4.18

Polar Surface Area

85.408

Acid Dissociation Constant (pKa)

13.34

Base Dissociation Constant (pKb)

4.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

P642-0894 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with P642-0894 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P642-0894?
Check Price and Availability of P642-0894, 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 P642-0894 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P642-0894
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P642-0894
  • 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 P642-0894 available by request