K786-2205 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide

K786-2205 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide
K786-2205 Screening compound: N-[(2,4-dimethoxyphenyl)methyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2205
N-[(2,4-dimethoxyphenyl)methyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide

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

K786-2205

Molecular Formula

C25H26N2O4S (C25 H26 N2 O4 S)

Compound Name

N-[(2,4-dimethoxyphenyl)methyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide

IUPAC name

N-[(24-dimethoxyphenyl)methyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide

SMILES

CC(Nc(cc(cc1)C(NCc(ccc(OC)c2)c2OC)=O)c1Sc1ccc(C)cc1)=O

InChI

InChI=1S/C25H26N2O4S/c1-16-5-10-21(11-6-16)32-24-12-8-18(13-22(24)27-17(2)28)25(29)26-15-19-7-9-20(30-3)14-23(19)31-4/h5-14H,15H2,1-4H3,(H,26,29)(H,27,28)

InChI Key

MRUKGRORCXWKTM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.644

Distribution Coefficient, logD

4.644

Water Solubility, LogSw

-4.43

Polar Surface Area

62.118

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

K786-2205 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 K786-2205 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2205?
Check Price and Availability of K786-2205, 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 K786-2205 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2205
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2205
  • 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 K786-2205 available by request