K413-0270 Screening compound: 2-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one

K413-0270 Screening compound: 2-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one
K413-0270 Screening compound: 2-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0270
2-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one

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

K413-0270

Molecular Formula

C21H21ClN2O2S (C21 H21 ClN2 O2 S)

Compound Name

2-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one

IUPAC name

2-({1-[(4-chlorophenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(morpholin-4-yl)ethan-1-one

SMILES

O=C(CSc1cn(Cc(cc2)ccc2Cl)c2c1cccc2)N1CCOCC1

InChI

InChI=1S/C21H21ClN2O2S/c22-17-7-5-16(6-8-17)13-24-14-20(18-3-1-2-4-19(18)24)27-15-21(25)23-9-11-26-12-10-23/h1-8,14H,9-13,15H2

InChI Key

GEGANXCYOAYFFS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453476

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.93

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.665

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-4.16

Polar Surface Area

26.000

Acid Dissociation Constant (pKa)

24.86

Base Dissociation Constant (pKb)

-2.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K413-0270 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K413-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0270?
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What is the minimum amount of K413-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0270
  • 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 K413-0270 available by request