C155-0068 Screening compound: 2-[(4-ethylcyclohexyl)formamido]-N-(4-methoxyphenyl)-4-(methylsulfanyl)butanamide

C155-0068 Screening compound: 2-[(4-ethylcyclohexyl)formamido]-N-(4-methoxyphenyl)-4-(methylsulfanyl)butanamide
C155-0068 Screening compound: 2-[(4-ethylcyclohexyl)formamido]-N-(4-methoxyphenyl)-4-(methylsulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0068
2-[(4-ethylcyclohexyl)formamido]-N-(4-methoxyphenyl)-4-(methylsulfanyl)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

C155-0068

Molecular Formula

C21H32N2O3S (C21 H32 N2 O3 S)

Compound Name

2-[(4-ethylcyclohexyl)formamido]-N-(4-methoxyphenyl)-4-(methylsulfanyl)butanamide

IUPAC name

2-[(4-ethylcyclohexyl)formamido]-N-(4-methoxyphenyl)-4-(methylsulfanyl)butanamide

SMILES

CCC(CC1)CCC1C(NC(CCSC)C(Nc(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C21H32N2O3S/c1-4-15-5-7-16(8-6-15)20(24)23-19(13-14-27-3)21(25)22-17-9-11-18(26-2)12-10-17/h9-12,15-16,19H,4-8,13-14H2,1-3H3,(H,22,25)(H,23,24)/t15?,16?,19-/m0/s1

InChI Key

RTSQCTNWSFSZTP-RJYAGPCLSA-N

MDL Number (MFCD)

MFCD03829114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.647

Distribution Coefficient, logD

4.647

Water Solubility, LogSw

-4.41

Polar Surface Area

55.381

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

C155-0068 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C155-0068 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0068?
Check Price and Availability of C155-0068, 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 C155-0068 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0068
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0068
  • 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 C155-0068 available by request