P029-0005 Screening compound: 5-{5-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-2-one

P029-0005 Screening compound: 5-{5-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-2-one
P029-0005 Screening compound: 5-{5-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound P029-0005
5-{5-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-2-one

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

P029-0005

Molecular Formula

C19H20N4O4S (C19 H20 N4 O4 S)

Compound Name

5-{5-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-1,2,4-oxadiazol-3-yl}-1,2-dihydropyridin-2-one

IUPAC name

5-{5-[1-(4-methylbenzenesulfonyl)piperidin-3-yl]-124-oxadiazol-3-yl}-12-dihydropyridin-2-one

SMILES

Cc(cc1)ccc1S(N(CCC1)CC1c1nc(C(C=C2)=CNC2=O)no1)(=O)=O

InChI

InChI=1S/C19H20N4O4S/c1-13-4-7-16(8-5-13)28(25,26)23-10-2-3-15(12-23)19-21-18(22-27-19)14-6-9-17(24)20-11-14/h4-9,11,15H,2-3,10,12H2,1H3,(H,20,24)/t15-/m0/s1

InChI Key

APQCJCGEVDMTQV-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27559033

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.639

Distribution Coefficient, logD

2.639

Water Solubility, LogSw

-3.13

Polar Surface Area

87.998

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-3.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.60

P029-0005 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 P029-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P029-0005?
Check Price and Availability of P029-0005, 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 P029-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P029-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P029-0005
  • 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 P029-0005 available by request