K413-0444 Screening compound: 2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide

K413-0444 Screening compound: 2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide
K413-0444 Screening compound: 2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0444
2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-(3-methylphenyl)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

K413-0444

Molecular Formula

C24H21ClN2OS (C24 H21 ClN2 OS)

Compound Name

2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide

IUPAC name

2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-N-(3-methylphenyl)acetamide

SMILES

Cc1cccc(NC(CSc2cn(Cc(cccc3)c3Cl)c3c2cccc3)=O)c1

InChI

InChI=1S/C24H21ClN2OS/c1-17-7-6-9-19(13-17)26-24(28)16-29-23-15-27(22-12-5-3-10-20(22)23)14-18-8-2-4-11-21(18)25/h2-13,15H,14,16H2,1H3,(H,26,28)

InChI Key

UMQLQNBDZOBQIU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453570

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.96

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.974

Distribution Coefficient, logD

5.974

Water Solubility, LogSw

-6.07

Polar Surface Area

24.848

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with K413-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0444?
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What is the minimum amount of K413-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0444
  • 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 K413-0444 available by request