K784-4100 Screening compound: ethyl 4-({N-[(4-bromophenyl)methyl]3-[(2,6-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate

K784-4100 Screening compound: ethyl 4-({N-[(4-bromophenyl)methyl]3-[(2,6-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate
K784-4100 Screening compound: ethyl 4-({N-[(4-bromophenyl)methyl]3-[(2,6-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-4100
ethyl 4-({N-[(4-bromophenyl)methyl]3-[(2,6-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}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

K784-4100

Molecular Formula

C32H30BrFN2O5S (C32 H30 BrFN2 O5 S)

Compound Name

ethyl 4-({N-[(4-bromophenyl)methyl]3-[(2,6-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate

IUPAC name

ethyl 4-({N-[(4-bromophenyl)methyl]3-[(26-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate

SMILES

CCOC(c1ccc(CN(Cc(cc2)ccc2Br)S(c(cc2)cc(C(Nc3c(C)cccc3C)=O)c2F)(=O)=O)cc1)=O

InChI

InChI=1S/C32H30BrFN2O5S/c1-4-41-32(38)25-12-8-23(9-13-25)19-36(20-24-10-14-26(33)15-11-24)42(39,40)27-16-17-29(34)28(18-27)31(37)35-30-21(2)6-5-7-22(30)3/h5-18H,4,19-20H2,1-3H3,(H,35,37)

InChI Key

YWTMPSBKWJWKLO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15097777

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

653.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

7.253

Distribution Coefficient, logD

7.245

Water Solubility, LogSw

-5.68

Polar Surface Area

73.792

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-3.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

K784-4100 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

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

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
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 K784-4100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-4100?
Check Price and Availability of K784-4100, 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 K784-4100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-4100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-4100
  • 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 K784-4100 available by request