P122-0412 Screening compound: N-[(3-bromophenyl)methyl]-2-(3-ethanesulfonamido-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetamide

P122-0412 Screening compound: N-[(3-bromophenyl)methyl]-2-(3-ethanesulfonamido-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetamide
P122-0412 Screening compound: N-[(3-bromophenyl)methyl]-2-(3-ethanesulfonamido-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P122-0412
N-[(3-bromophenyl)methyl]-2-(3-ethanesulfonamido-6-methyl-2-oxo-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

P122-0412

Molecular Formula

C17H20BrN3O4S (C17 H20 BrN3 O4 S)

Compound Name

N-[(3-bromophenyl)methyl]-2-(3-ethanesulfonamido-6-methyl-2-oxo-1,2-dihydropyridin-1-yl)acetamide

IUPAC name

N-[(3-bromophenyl)methyl]-2-(3-ethanesulfonamido-6-methyl-2-oxo-12-dihydropyridin-1-yl)acetamide

SMILES

CCS(NC1=CC=C(C)N(CC(NCc2cccc(Br)c2)=O)C1=O)(=O)=O

InChI

InChI=1S/C17H20BrN3O4S/c1-3-26(24,25)20-15-8-7-12(2)21(17(15)23)11-16(22)19-10-13-5-4-6-14(18)9-13/h4-9,20H,3,10-11H2,1-2H3,(H,19,22)

InChI Key

KLMOMXMBFNTFGF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28993079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

-0.845

Water Solubility, LogSw

-2.72

Polar Surface Area

83.410

Acid Dissociation Constant (pKa)

4.53

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

P122-0412 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with P122-0412 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P122-0412?
Check Price and Availability of P122-0412, 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 P122-0412 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P122-0412
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P122-0412
  • 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 P122-0412 available by request