C155-0113 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-2-[(4-ethylcyclohexyl)formamido]-4-(methylsulfanyl)butanamide

C155-0113 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-2-[(4-ethylcyclohexyl)formamido]-4-(methylsulfanyl)butanamide
C155-0113 Screening compound: N-{2-[bis(2-methylpropyl)amino]ethyl}-2-[(4-ethylcyclohexyl)formamido]-4-(methylsulfanyl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0113
N-{2-[bis(2-methylpropyl)amino]ethyl}-2-[(4-ethylcyclohexyl)formamido]-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

C155-0113

Molecular Formula

C24H47N3O2S (C24 H47 N3 O2 S)

Compound Name

N-{2-[bis(2-methylpropyl)amino]ethyl}-2-[(4-ethylcyclohexyl)formamido]-4-(methylsulfanyl)butanamide

IUPAC name

N-{2-[bis(2-methylpropyl)amino]ethyl}-2-[(4-ethylcyclohexyl)formamido]-4-(methylsulfanyl)butanamide

SMILES

CCC(CC1)CCC1C(NC(CCSC)C(NCCN(CC(C)C)CC(C)C)=O)=O

InChI

InChI=1S/C24H47N3O2S/c1-7-20-8-10-21(11-9-20)23(28)26-22(12-15-30-6)24(29)25-13-14-27(16-18(2)3)17-19(4)5/h18-22H,7-17H2,1-6H3,(H,25,29)(H,26,28)/t20?,21?,22-/m0/s1

InChI Key

HTMXNVSIFSEFQD-HRTMPFAESA-N

MDL Number (MFCD)

MFCD03829124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.72

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.106

Distribution Coefficient, logD

3.317

Water Solubility, LogSw

-4.84

Polar Surface Area

53.234

Acid Dissociation Constant (pKa)

13.64

Base Dissociation Constant (pKb)

9.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

91.70

C155-0113 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

GABA Library (7115 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C155-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0113?
Check Price and Availability of C155-0113, 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 C155-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0113
  • 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 C155-0113 available by request