C155-0137 Screening compound: 3-(1H-indol-3-yl)-2-[(4-methylcyclohexyl)formamido]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

C155-0137 Screening compound: 3-(1H-indol-3-yl)-2-[(4-methylcyclohexyl)formamido]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
C155-0137 Screening compound: 3-(1H-indol-3-yl)-2-[(4-methylcyclohexyl)formamido]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0137
3-(1H-indol-3-yl)-2-[(4-methylcyclohexyl)formamido]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

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

C155-0137

Molecular Formula

C27H34N4O4S (C27 H34 N4 O4 S)

Compound Name

3-(1H-indol-3-yl)-2-[(4-methylcyclohexyl)formamido]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

IUPAC name

3-(1H-indol-3-yl)-2-[(4-methylcyclohexyl)formamido]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide

SMILES

CC(CC1)CCC1C(NC(Cc1c[nH]c2c1cccc2)C(NCCc(cc1)ccc1S(N)(=O)=O)=O)=O

InChI

InChI=1S/C27H34N4O4S/c1-18-6-10-20(11-7-18)26(32)31-25(16-21-17-30-24-5-3-2-4-23(21)24)27(33)29-15-14-19-8-12-22(13-9-19)36(28,34)35/h2-5,8-9,12-13,17-18,20,25,30H,6-7,10-11,14-16H2,1H3,(H,29,33)(H,31,32)(H2,28,34,35)/t18?,20?,25-/m0/s1

InChI Key

XQCQEGAVWQXIIP-WNEJPSKBSA-N

MDL Number (MFCD)

MFCD08685584

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.66

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

5.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.428

Distribution Coefficient, logD

3.427

Water Solubility, LogSw

-3.73

Polar Surface Area

109.203

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

3.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

C155-0137 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CORONAVIRUS Library (20774 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 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
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C155-0137 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0137?
Check Price and Availability of C155-0137, 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 C155-0137 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0137
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0137
  • 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 C155-0137 available by request