K413-0450 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide

K413-0450 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide
K413-0450 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0450
N-(2H-1,3-benzodioxol-5-yl)-2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)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

K413-0450

Molecular Formula

C24H19ClN2O3S (C24 H19 ClN2 O3 S)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-2-({1-[(2-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide

SMILES

O=C(CSc1cn(Cc(cccc2)c2Cl)c2c1cccc2)Nc(cc1)cc2c1OCO2

InChI

InChI=1S/C24H19ClN2O3S/c25-19-7-3-1-5-16(19)12-27-13-23(18-6-2-4-8-20(18)27)31-14-24(28)26-17-9-10-21-22(11-17)30-15-29-21/h1-11,13H,12,14-15H2,(H,26,28)

InChI Key

UWQLOHNSTDJHEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453575

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.95

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.447

Distribution Coefficient, logD

5.447

Water Solubility, LogSw

-6.07

Polar Surface Area

41.964

Acid Dissociation Constant (pKa)

11.36

Base Dissociation Constant (pKb)

0.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

K413-0450 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 K413-0450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0450?
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What is the minimum amount of K413-0450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0450
  • 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 K413-0450 available by request