K783-3661 Screening compound: methyl 4-({N-[(3,4-dimethoxyphenyl)methyl]2-fluoro-5-{[3-(trifluoromethyl)phenyl]carbamoyl}benzenesulfonamido}methyl)benzoate

K783-3661 Screening compound: methyl 4-({N-[(3,4-dimethoxyphenyl)methyl]2-fluoro-5-{[3-(trifluoromethyl)phenyl]carbamoyl}benzenesulfonamido}methyl)benzoate
K783-3661 Screening compound: methyl 4-({N-[(3,4-dimethoxyphenyl)methyl]2-fluoro-5-{[3-(trifluoromethyl)phenyl]carbamoyl}benzenesulfonamido}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K783-3661
methyl 4-({N-[(3,4-dimethoxyphenyl)methyl]2-fluoro-5-{[3-(trifluoromethyl)phenyl]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

K783-3661

Molecular Formula

C32H28F4N2O7S (C32 H28 F4 N2 O7 S)

Compound Name

methyl 4-({N-[(3,4-dimethoxyphenyl)methyl]2-fluoro-5-{[3-(trifluoromethyl)phenyl]carbamoyl}benzenesulfonamido}methyl)benzoate

IUPAC name

methyl 4-({N-[(34-dimethoxyphenyl)methyl]2-fluoro-5-{[3-(trifluoromethyl)phenyl]carbamoyl}benzenesulfonamido}methyl)benzoate

SMILES

COC(c1ccc(CN(Cc(cc2)cc(OC)c2OC)S(c(cc(cc2)C(Nc3cc(C(F)(F)F)ccc3)=O)c2F)(=O)=O)cc1)=O

InChI

InChI=1S/C32H28F4N2O7S/c1-43-27-14-9-21(15-28(27)44-2)19-38(18-20-7-10-22(11-8-20)31(40)45-3)46(41,42)29-16-23(12-13-26(29)33)30(39)37-25-6-4-5-24(17-25)32(34,35)36/h4-17H,18-19H2,1-3H3,(H,37,39)

InChI Key

DJMPXWRTWXCGSW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15096000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

660.64

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.351

Distribution Coefficient, logD

5.943

Water Solubility, LogSw

-5.77

Polar Surface Area

90.868

Acid Dissociation Constant (pKa)

7.21

Base Dissociation Constant (pKb)

-3.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

K783-3661 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 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:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K783-3661 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K783-3661?
Check Price and Availability of K783-3661, 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 K783-3661 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K783-3661
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K783-3661
  • 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 K783-3661 available by request