K413-0027 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide

K413-0027 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide
K413-0027 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0027
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({1-[(4-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

K413-0027

Molecular Formula

C27H27FN2O3S (C27 H27 FN2 O3 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide

SMILES

COc(ccc(CCNC(CSc1cn(Cc(cc2)ccc2F)c2c1cccc2)=O)c1)c1OC

InChI

InChI=1S/C27H27FN2O3S/c1-32-24-12-9-19(15-25(24)33-2)13-14-29-27(31)18-34-26-17-30(23-6-4-3-5-22(23)26)16-20-7-10-21(28)11-8-20/h3-12,15,17H,13-14,16,18H2,1-2H3,(H,29,31)

InChI Key

UYBJWOOCKPONEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05013361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.968

Distribution Coefficient, logD

3.968

Water Solubility, LogSw

-4.03

Polar Surface Area

41.273

Acid Dissociation Constant (pKa)

14.53

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K413-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0027?
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What is the minimum amount of K413-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0027
  • 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 K413-0027 available by request