K781-1481 Screening compound: 4-{[(4-fluorophenyl)methyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide

K781-1481 Screening compound: 4-{[(4-fluorophenyl)methyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide
K781-1481 Screening compound: 4-{[(4-fluorophenyl)methyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-1481
4-{[(4-fluorophenyl)methyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide

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

K781-1481

Molecular Formula

C28H28F4N4O4S (C28 H28 F4 N4 O4 S)

Compound Name

4-{[(4-fluorophenyl)methyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide

IUPAC name

4-{[(4-fluorophenyl)methyl]amino}-N-[3-(2-oxopyrrolidin-1-yl)propyl]-3-{[3-(trifluoromethyl)phenyl]sulfamoyl}benzamide

SMILES

O=C(c(cc1)cc(S(Nc2cc(C(F)(F)F)ccc2)(=O)=O)c1NCc(cc1)ccc1F)NCCCN(CCC1)C1=O

InChI

InChI=1S/C28H28F4N4O4S/c29-22-10-7-19(8-11-22)18-34-24-12-9-20(27(38)33-13-3-15-36-14-2-6-26(36)37)16-25(24)41(39,40)35-23-5-1-4-21(17-23)28(30,31)32/h1,4-5,7-12,16-17,34-35H,2-3,6,13-15,18H2,(H,33,38)

InChI Key

HLENJSSPFBLSDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15093868

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

592.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.416

Distribution Coefficient, logD

1.667

Water Solubility, LogSw

-3.90

Polar Surface Area

92.192

Acid Dissociation Constant (pKa)

5.66

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

K781-1481 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 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:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Proteases
  • Phosphatases

References: we are preparing a list of scientific research reports with K781-1481 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-1481?
Check Price and Availability of K781-1481, 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 K781-1481 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-1481
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-1481
  • 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 K781-1481 available by request