K786-2219 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide

K786-2219 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide
K786-2219 Screening compound: N-[(5-bromo-2-methoxyphenyl)methyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-2219
N-[(5-bromo-2-methoxyphenyl)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

K786-2219

Molecular Formula

C24H23BrN2O3S (C24 H23 BrN2 O3 S)

Compound Name

N-[(5-bromo-2-methoxyphenyl)methyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide

IUPAC name

N-[(5-bromo-2-methoxyphenyl)methyl]-3-acetamido-4-[(4-methylphenyl)sulfanyl]benzamide

SMILES

CC(Nc(cc(cc1)C(NCc(cc(cc2)Br)c2OC)=O)c1Sc1ccc(C)cc1)=O

InChI

InChI=1S/C24H23BrN2O3S/c1-15-4-8-20(9-5-15)31-23-11-6-17(13-21(23)27-16(2)28)24(29)26-14-18-12-19(25)7-10-22(18)30-3/h4-13H,14H2,1-3H3,(H,26,29)(H,27,28)

InChI Key

MFHCYROBDWSYGE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100456

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.318

Distribution Coefficient, logD

5.318

Water Solubility, LogSw

-5.35

Polar Surface Area

54.575

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K786-2219 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with K786-2219 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-2219?
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What is the minimum amount of K786-2219 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-2219
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-2219
  • 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 K786-2219 available by request