C155-0747 Screening compound: 4-(methylsulfanyl)-2-{[4-(4-propylcyclohexyl)phenyl]formamido}butanoic acid

C155-0747 Screening compound: 4-(methylsulfanyl)-2-{[4-(4-propylcyclohexyl)phenyl]formamido}butanoic acid
C155-0747 Screening compound: 4-(methylsulfanyl)-2-{[4-(4-propylcyclohexyl)phenyl]formamido}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0747
4-(methylsulfanyl)-2-{[4-(4-propylcyclohexyl)phenyl]formamido}butanoic acid

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

C155-0747

Molecular Formula

C21H31NO3S (C21 H31 NO3 S)

Compound Name

4-(methylsulfanyl)-2-{[4-(4-propylcyclohexyl)phenyl]formamido}butanoic acid

IUPAC name

4-(methylsulfanyl)-2-{[4-(4-propylcyclohexyl)phenyl]formamido}butanoic acid

SMILES

CCCC(CC1)CCC1c(cc1)ccc1C(NC(CCSC)C(O)=O)=O

InChI

InChI=1S/C21H31NO3S/c1-3-4-15-5-7-16(8-6-15)17-9-11-18(12-10-17)20(23)22-19(21(24)25)13-14-26-2/h9-12,15-16,19H,3-8,13-14H2,1-2H3,(H,22,23)(H,24,25)/t15?,16?,19-/m0/s1

InChI Key

NXAKRNSBJNPQEU-RJYAGPCLSA-N

MDL Number (MFCD)

MFCD14723355

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

377.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.576

Distribution Coefficient, logD

0.906

Water Solubility, LogSw

-4.28

Polar Surface Area

52.882

Acid Dissociation Constant (pKa)

3.73

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

C155-0747 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with C155-0747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0747?
Check Price and Availability of C155-0747, 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 C155-0747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0747
  • 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 C155-0747 available by request