K216-0966 Screening compound: 2-[2-(acetylamino)-5-bromophenyl]-N~1~-(4-methoxybenzyl)-2-oxoacetamide

K216-0966 Screening compound: 2-[2-(acetylamino)-5-bromophenyl]-N~1~-(4-methoxybenzyl)-2-oxoacetamide
K216-0966 Screening compound: 2-[2-(acetylamino)-5-bromophenyl]-N~1~-(4-methoxybenzyl)-2-oxoacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K216-0966
2-[2-(acetylamino)-5-bromophenyl]-N~1~-(4-methoxybenzyl)-2-oxoacetamide

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

K216-0966

Molecular Formula

C18H17BrN2O4 (C18 H17 BrN2 O4)

Compound Name

2-[2-(acetylamino)-5-bromophenyl]-N~1~-(4-methoxybenzyl)-2-oxoacetamide

IUPAC name

n/a

SMILES

CC(Nc(ccc(Br)c1)c1C(C(NCc(cc1)ccc1OC)=O)=O)=O

InChI

InChI=1S/C18H17BrN2O4/c1-11(22)21-16-8-5-13(19)9-15(16)17(23)18(24)20-10-12-3-6-14(25-2)7-4-12/h3-9H,10H2,1-2H3,(H,20,24)(H,21,22)

InChI Key

PJXYPAKIKKFLEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03450164

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.325

Distribution Coefficient, logD

2.274

Water Solubility, LogSw

-3.12

Polar Surface Area

68.498

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-0.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K216-0966 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 K216-0966 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K216-0966?
Check Price and Availability of K216-0966, 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 K216-0966 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K216-0966
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K216-0966
  • 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 K216-0966 available by request