C155-0191 Screening compound: 2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)-N-(2-phenylethyl)butanamide

C155-0191 Screening compound: 2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)-N-(2-phenylethyl)butanamide
C155-0191 Screening compound: 2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)-N-(2-phenylethyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0191
2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)-N-(2-phenylethyl)butanamide

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

C155-0191

Molecular Formula

C21H32N2O2S (C21 H32 N2 O2 S)

Compound Name

2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)-N-(2-phenylethyl)butanamide

IUPAC name

2-[(4-methylcyclohexyl)formamido]-4-(methylsulfanyl)-N-(2-phenylethyl)butanamide

SMILES

CC(CC1)CCC1C(NC(CCSC)C(NCCc1ccccc1)=O)=O

InChI

InChI=1S/C21H32N2O2S/c1-16-8-10-18(11-9-16)20(24)23-19(13-15-26-2)21(25)22-14-12-17-6-4-3-5-7-17/h3-7,16,18-19H,8-15H2,1-2H3,(H,22,25)(H,23,24)/t16?,18?,19-/m0/s1

InChI Key

MDXGCCHSTOEBLO-KVZIAJEVSA-N

MDL Number (MFCD)

MFCD08685590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.287

Distribution Coefficient, logD

4.287

Water Solubility, LogSw

-4.20

Polar Surface Area

49.001

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

1.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

C155-0191 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C155-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0191?
Check Price and Availability of C155-0191, 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 C155-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0191
  • 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 C155-0191 available by request