K413-0095 Screening compound: 2-({1-[(2-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one

K413-0095 Screening compound: 2-({1-[(2-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one
K413-0095 Screening compound: 2-({1-[(2-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0095
2-({1-[(2-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(pyrrolidin-1-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

K413-0095

Molecular Formula

C22H24N2OS (C22 H24 N2 OS)

Compound Name

2-({1-[(2-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one

IUPAC name

2-({1-[(2-methylphenyl)methyl]-1H-indol-3-yl}sulfanyl)-1-(pyrrolidin-1-yl)ethan-1-one

SMILES

Cc1c(Cn2c(cccc3)c3c(SCC(N3CCCC3)=O)c2)cccc1

InChI

InChI=1S/C22H24N2OS/c1-17-8-2-3-9-18(17)14-24-15-21(19-10-4-5-11-20(19)24)26-16-22(25)23-12-6-7-13-23/h2-5,8-11,15H,6-7,12-14,16H2,1H3

InChI Key

KTYXOVDILHQWEU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.793

Distribution Coefficient, logD

4.793

Water Solubility, LogSw

-4.55

Polar Surface Area

18.457

Acid Dissociation Constant (pKa)

24.86

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with K413-0095 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0095?
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What is the minimum amount of K413-0095 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0095
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0095
  • 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 K413-0095 available by request