K413-0010 Screening compound: N-cyclohexyl-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide

K413-0010 Screening compound: N-cyclohexyl-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide
K413-0010 Screening compound: N-cyclohexyl-2-({1-[(4-fluorophenyl)methyl]-1H-indol-3-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K413-0010
N-cyclohexyl-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

K413-0010

Molecular Formula

C23H25FN2OS (C23 H25 FN2 OS)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSc1cn(Cc(cc2)ccc2F)c2c1cccc2)NC1CCCCC1

InChI

InChI=1S/C23H25FN2OS/c24-18-12-10-17(11-13-18)14-26-15-22(20-8-4-5-9-21(20)26)28-16-23(27)25-19-6-2-1-3-7-19/h4-5,8-13,15,19H,1-3,6-7,14,16H2,(H,25,27)

InChI Key

HORDUZKDFITUHZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04453332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

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

4.891

Distribution Coefficient, logD

4.891

Water Solubility, LogSw

-4.77

Polar Surface Area

25.896

Acid Dissociation Constant (pKa)

15.63

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

K413-0010 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with K413-0010 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K413-0010?
Check Price and Availability of K413-0010, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K413-0010 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K413-0010
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K413-0010
  • 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 K413-0010 available by request