P642-0929 Screening compound: 3-[2-(azepan-1-yl)pyridin-4-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

P642-0929 Screening compound: 3-[2-(azepan-1-yl)pyridin-4-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
P642-0929 Screening compound: 3-[2-(azepan-1-yl)pyridin-4-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P642-0929
3-[2-(azepan-1-yl)pyridin-4-yl]-N-[(2-methoxyphenyl)methyl]-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

P642-0929

Molecular Formula

C22H25N5O3 (C22 H25 N5 O3)

Compound Name

3-[2-(azepan-1-yl)pyridin-4-yl]-N-[(2-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[2-(azepan-1-yl)pyridin-4-yl]-N-[(2-methoxyphenyl)methyl]-124-oxadiazole-5-carboxamide

SMILES

COc1c(CNC(c2nc(-c3cc(N4CCCCCC4)ncc3)no2)=O)cccc1

InChI

InChI=1S/C22H25N5O3/c1-29-18-9-5-4-8-17(18)15-24-21(28)22-25-20(26-30-22)16-10-11-23-19(14-16)27-12-6-2-3-7-13-27/h4-5,8-11,14H,2-3,6-7,12-13,15H2,1H3,(H,24,28)

InChI Key

RZESWLSHTOCENL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.686

Distribution Coefficient, logD

4.679

Water Solubility, LogSw

-4.42

Polar Surface Area

76.254

Acid Dissociation Constant (pKa)

11.83

Base Dissociation Constant (pKb)

5.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

P642-0929 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with P642-0929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P642-0929?
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What is the minimum amount of P642-0929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P642-0929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P642-0929
  • 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 P642-0929 available by request