C155-0475 Screening compound: 2-(2,5-dimethylbenzenesulfonamido)-4-methylpentanoic acid

C155-0475 Screening compound: 2-(2,5-dimethylbenzenesulfonamido)-4-methylpentanoic acid
C155-0475 Screening compound: 2-(2,5-dimethylbenzenesulfonamido)-4-methylpentanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C155-0475
2-(2,5-dimethylbenzenesulfonamido)-4-methylpentanoic 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

C155-0475

Molecular Formula

C14H21NO4S (C14 H21 NO4 S)

Compound Name

2-(2,5-dimethylbenzenesulfonamido)-4-methylpentanoic acid

IUPAC name

2-(25-dimethylbenzenesulfonamido)-4-methylpentanoic acid

SMILES

CC(C)CC(C(O)=O)NS(c1c(C)ccc(C)c1)(=O)=O

InChI

InChI=1S/C14H21NO4S/c1-9(2)7-12(14(16)17)15-20(18,19)13-8-10(3)5-6-11(13)4/h5-6,8-9,12,15H,7H2,1-4H3,(H,16,17)/t12-/m0/s1

InChI Key

YKLYILQBCOVJHM-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD05148226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.172

Distribution Coefficient, logD

-1.591

Water Solubility, LogSw

-2.54

Polar Surface Area

70.520

Acid Dissociation Constant (pKa)

3.64

Base Dissociation Constant (pKb)

-6.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

C155-0475 in Drug Discovery

Included in Screening Libraries

ACE2 Library (3043 compounds)

CORONAVIRUS Library (20774 compounds)

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Glucocorticoid receptors Library (4806 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Structure:
  • Pool
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C155-0475 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C155-0475?
Check Price and Availability of C155-0475, 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 C155-0475 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C155-0475
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C155-0475
  • 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 C155-0475 available by request