C166-0089 Screening compound: N-[(4-methylphenyl)methyl]-3-phenyl-2-(thiophene-2-sulfonamido)propanamide

C166-0089 Screening compound: N-[(4-methylphenyl)methyl]-3-phenyl-2-(thiophene-2-sulfonamido)propanamide
C166-0089 Screening compound: N-[(4-methylphenyl)methyl]-3-phenyl-2-(thiophene-2-sulfonamido)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C166-0089
N-[(4-methylphenyl)methyl]-3-phenyl-2-(thiophene-2-sulfonamido)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

C166-0089

Molecular Formula

C21H22N2O3S2 (C21 H22 N2 O3 S2)

Compound Name

N-[(4-methylphenyl)methyl]-3-phenyl-2-(thiophene-2-sulfonamido)propanamide

IUPAC name

N-[(4-methylphenyl)methyl]-3-phenyl-2-(thiophene-2-sulfonamido)propanamide

SMILES

Cc1ccc(CNC(C(Cc2ccccc2)NS(c2cccs2)(=O)=O)=O)cc1

InChI

InChI=1S/C21H22N2O3S2/c1-16-9-11-18(12-10-16)15-22-21(24)19(14-17-6-3-2-4-7-17)23-28(25,26)20-8-5-13-27-20/h2-13,19,23H,14-15H2,1H3,(H,22,24)/t19-/m0/s1

InChI Key

HSUGZSYRIOUKLH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14723492

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.480

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.64

Polar Surface Area

67.272

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

-2.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

C166-0089 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

SH2 Library (10483 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C166-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C166-0089?
Check Price and Availability of C166-0089, 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 C166-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C166-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C166-0089
  • 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 C166-0089 available by request