P158-0772 Screening compound: N-(2-ethyl-6-methylphenyl)-2-[2-oxo-3-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetamide

P158-0772 Screening compound: N-(2-ethyl-6-methylphenyl)-2-[2-oxo-3-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetamide
P158-0772 Screening compound: N-(2-ethyl-6-methylphenyl)-2-[2-oxo-3-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P158-0772
N-(2-ethyl-6-methylphenyl)-2-[2-oxo-3-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetamide

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

P158-0772

Molecular Formula

C20H25N3O4S (C20 H25 N3 O4 S)

Compound Name

N-(2-ethyl-6-methylphenyl)-2-[2-oxo-3-(pyrrolidine-1-sulfonyl)-1,2-dihydropyridin-1-yl]acetamide

IUPAC name

N-(2-ethyl-6-methylphenyl)-2-[2-oxo-3-(pyrrolidine-1-sulfonyl)-12-dihydropyridin-1-yl]acetamide

SMILES

CCc(cccc1C)c1NC(CN(C=CC=C1S(N2CCCC2)(=O)=O)C1=O)=O

InChI

InChI=1S/C20H25N3O4S/c1-3-16-9-6-8-15(2)19(16)21-18(24)14-22-11-7-10-17(20(22)25)28(26,27)23-12-4-5-13-23/h6-11H,3-5,12-14H2,1-2H3,(H,21,24)

InChI Key

OKNMUWWFRLAMQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27566734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.951

Distribution Coefficient, logD

1.951

Water Solubility, LogSw

-2.44

Polar Surface Area

69.783

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-3.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

P158-0772 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular

References: we are preparing a list of scientific research reports with P158-0772 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P158-0772?
Check Price and Availability of P158-0772, 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 P158-0772 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P158-0772
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P158-0772
  • 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 P158-0772 available by request