K783-3588 Screening compound: ethyl 4-({N-[(4-methylphenyl)methyl]3-[(2,6-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate

K783-3588 Screening compound: ethyl 4-({N-[(4-methylphenyl)methyl]3-[(2,6-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate
K783-3588 Screening compound: ethyl 4-({N-[(4-methylphenyl)methyl]3-[(2,6-dimethylphenyl)carbamoyl]-4-fluorobenzenesulfonamido}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-3588
ethyl 4-({N-[(4-methylphenyl)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

K783-3588

Molecular Formula

C33H33FN2O5S (C33 H33 FN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c1ccc(CN(Cc2ccc(C)cc2)S(c(cc2)cc(C(Nc3c(C)cccc3C)=O)c2F)(=O)=O)cc1)=O

InChI

InChI=1S/C33H33FN2O5S/c1-5-41-33(38)27-15-13-26(14-16-27)21-36(20-25-11-9-22(2)10-12-25)42(39,40)28-17-18-30(34)29(19-28)32(37)35-31-23(3)7-6-8-24(31)4/h6-19H,5,20-21H2,1-4H3,(H,35,37)

InChI Key

PSQGTXASWCQWGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15095965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

588.7

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

6.843

Distribution Coefficient, logD

6.835

Water Solubility, LogSw

-5.64

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

21.20

K783-3588 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

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

References: we are preparing a list of scientific research reports with K783-3588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-3588?
Check Price and Availability of K783-3588, 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 K783-3588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-3588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-3588
  • 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 K783-3588 available by request