P642-0431 Screening compound: 1-(4-methylphenyl)-4-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperazine

P642-0431 Screening compound: 1-(4-methylphenyl)-4-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperazine
P642-0431 Screening compound: 1-(4-methylphenyl)-4-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound P642-0431
1-(4-methylphenyl)-4-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperazine

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

P642-0431

Molecular Formula

C23H26N6O2 (C23 H26 N6 O2)

Compound Name

1-(4-methylphenyl)-4-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]-1,2,4-oxadiazole-5-carbonyl}piperazine

IUPAC name

1-(4-methylphenyl)-4-{3-[2-(pyrrolidin-1-yl)pyridin-4-yl]-124-oxadiazole-5-carbonyl}piperazine

SMILES

Cc(cc1)ccc1N(CC1)CCN1C(c1nc(-c2cc(N3CCCC3)ncc2)no1)=O

InChI

InChI=1S/C23H26N6O2/c1-17-4-6-19(7-5-17)27-12-14-29(15-13-27)23(30)22-25-21(26-31-22)18-8-9-24-20(16-18)28-10-2-3-11-28/h4-9,16H,2-3,10-15H2,1H3

InChI Key

YDFOZQDDEGTUIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27608790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.300

Distribution Coefficient, logD

4.300

Water Solubility, LogSw

-4.26

Polar Surface Area

64.154

Acid Dissociation Constant (pKa)

22.55

Base Dissociation Constant (pKb)

4.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

P642-0431 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with P642-0431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P642-0431?
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What is the minimum amount of P642-0431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P642-0431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P642-0431
  • 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 P642-0431 available by request