K834-0504 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)sulfanyl]-5-(2,3-dihydro-1H-indol-1-ylsulfonyl)benzamide

K834-0504 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)sulfanyl]-5-(2,3-dihydro-1H-indol-1-ylsulfonyl)benzamide
K834-0504 Screening compound: N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)sulfanyl]-5-(2,3-dihydro-1H-indol-1-ylsulfonyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K834-0504
N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)sulfanyl]-5-(2,3-dihydro-1H-indol-1-ylsulfonyl)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

K834-0504

Molecular Formula

C29H23ClN2O5S2 (C29 H23 ClN2 O5 S2)

Compound Name

N-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chlorophenyl)sulfanyl]-5-(2,3-dihydro-1H-indol-1-ylsulfonyl)benzamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-2-[(3-chlorophenyl)sulfanyl]-5-(23-dihydro-1H-indole-1-sulfonyl)benzamide

SMILES

O=C(c(cc(cc1)S(N(CC2)c3c2cccc3)(=O)=O)c1Sc1cccc(Cl)c1)NCc(cc1)cc2c1OCO2

InChI

InChI=1S/C29H23ClN2O5S2/c30-21-5-3-6-22(15-21)38-28-11-9-23(39(34,35)32-13-12-20-4-1-2-7-25(20)32)16-24(28)29(33)31-17-19-8-10-26-27(14-19)37-18-36-26/h1-11,14-16H,12-13,17-18H2,(H,31,33)

InChI Key

YZNBKFGXFWGVIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15110387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

579.1

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.492

Distribution Coefficient, logD

6.492

Water Solubility, LogSw

-6.33

Polar Surface Area

73.014

Acid Dissociation Constant (pKa)

13.43

Base Dissociation Constant (pKb)

-5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.79

K834-0504 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with K834-0504 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K834-0504?
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What is the minimum amount of K834-0504 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K834-0504
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K834-0504
  • 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 K834-0504 available by request