K781-5775 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-N-pentylbenzamide

K781-5775 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-N-pentylbenzamide
K781-5775 Screening compound: 2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-N-pentylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-5775
2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-N-pentylbenzamide

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

K781-5775

Molecular Formula

C25H34N2O6S2 (C25 H34 N2 O6 S2)

Compound Name

2-{[(2,3-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-N-pentylbenzamide

IUPAC name

2-{[(23-dimethoxyphenyl)methyl]sulfanyl}-5-(morpholine-4-sulfonyl)-N-pentylbenzamide

SMILES

CCCCCNC(c(cc(cc1)S(N2CCOCC2)(=O)=O)c1SCc(cccc1OC)c1OC)=O

InChI

InChI=1S/C25H34N2O6S2/c1-4-5-6-12-26-25(28)21-17-20(35(29,30)27-13-15-33-16-14-27)10-11-23(21)34-18-19-8-7-9-22(31-2)24(19)32-3/h7-11,17H,4-6,12-16,18H2,1-3H3,(H,26,28)

InChI Key

KZQXZIYPIHMRBZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.69

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

4.580

Distribution Coefficient, logD

4.580

Water Solubility, LogSw

-4.29

Polar Surface Area

79.460

Acid Dissociation Constant (pKa)

12.85

Base Dissociation Constant (pKb)

-2.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.00

K781-5775 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 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

References: we are preparing a list of scientific research reports with K781-5775 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-5775?
Check Price and Availability of K781-5775, 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 K781-5775 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-5775
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-5775
  • 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 K781-5775 available by request