K783-3455 Screening compound: ethyl 4-({N-[(2-methylphenyl)methyl]4-fluoro-3-[(3-methoxyphenyl)carbamoyl]benzenesulfonamido}methyl)benzoate

K783-3455 Screening compound: ethyl 4-({N-[(2-methylphenyl)methyl]4-fluoro-3-[(3-methoxyphenyl)carbamoyl]benzenesulfonamido}methyl)benzoate
K783-3455 Screening compound: ethyl 4-({N-[(2-methylphenyl)methyl]4-fluoro-3-[(3-methoxyphenyl)carbamoyl]benzenesulfonamido}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-3455
ethyl 4-({N-[(2-methylphenyl)methyl]4-fluoro-3-[(3-methoxyphenyl)carbamoyl]benzenesulfonamido}methyl)benzoate

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

K783-3455

Molecular Formula

C32H31FN2O6S (C32 H31 FN2 O6 S)

Compound Name

ethyl 4-({N-[(2-methylphenyl)methyl]4-fluoro-3-[(3-methoxyphenyl)carbamoyl]benzenesulfonamido}methyl)benzoate

IUPAC name

ethyl 4-({N-[(2-methylphenyl)methyl]4-fluoro-3-[(3-methoxyphenyl)carbamoyl]benzenesulfonamido}methyl)benzoate

SMILES

CCOC(c1ccc(CN(Cc2c(C)cccc2)S(c(cc2)cc(C(Nc3cc(OC)ccc3)=O)c2F)(=O)=O)cc1)=O

InChI

InChI=1S/C32H31FN2O6S/c1-4-41-32(37)24-14-12-23(13-15-24)20-35(21-25-9-6-5-8-22(25)2)42(38,39)28-16-17-30(33)29(19-28)31(36)34-26-10-7-11-27(18-26)40-3/h5-19H,4,20-21H2,1-3H3,(H,34,36)

InChI Key

CABXUEOQEKYNDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095932

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

590.67

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

7.189

Distribution Coefficient, logD

7.164

Water Solubility, LogSw

-5.70

Polar Surface Area

82.731

Acid Dissociation Constant (pKa)

8.63

Base Dissociation Constant (pKb)

-2.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

K783-3455 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K783-3455 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-3455?
Check Price and Availability of K783-3455, 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 K783-3455 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-3455
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-3455
  • 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 K783-3455 available by request