K413-0068 Screening compound: N-(2,3-dimethylphenyl)-2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide

K413-0068 Screening compound: N-(2,3-dimethylphenyl)-2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide
K413-0068 Screening compound: N-(2,3-dimethylphenyl)-2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0068
N-(2,3-dimethylphenyl)-2-({1-[(3-fluorophenyl)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

K413-0068

Molecular Formula

C25H23FN2OS (C25 H23 FN2 OS)

Compound Name

N-(2,3-dimethylphenyl)-2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide

IUPAC name

N-(23-dimethylphenyl)-2-({1-[(3-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide

SMILES

Cc1cccc(NC(CSc2cn(Cc3cc(F)ccc3)c3c2cccc3)=O)c1C

InChI

InChI=1S/C25H23FN2OS/c1-17-7-5-11-22(18(17)2)27-25(29)16-30-24-15-28(23-12-4-3-10-21(23)24)14-19-8-6-9-20(26)13-19/h3-13,15H,14,16H2,1-2H3,(H,27,29)

InChI Key

XVDHJRRTCXDHCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05013401

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.53

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

5.719

Distribution Coefficient, logD

5.719

Water Solubility, LogSw

-5.50

Polar Surface Area

24.151

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

0.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

References: we are preparing a list of scientific research reports with K413-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0068?
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What is the minimum amount of K413-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0068
  • 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 K413-0068 available by request