K781-6634 Screening compound: 5-(2,3-dihydro-1H-indole-1-sulfonyl)-N-(3-ethoxypropyl)-2-{[(4-methoxyphenyl)methyl]sulfanyl}benzamide

K781-6634 Screening compound: 5-(2,3-dihydro-1H-indole-1-sulfonyl)-N-(3-ethoxypropyl)-2-{[(4-methoxyphenyl)methyl]sulfanyl}benzamide
K781-6634 Screening compound: 5-(2,3-dihydro-1H-indole-1-sulfonyl)-N-(3-ethoxypropyl)-2-{[(4-methoxyphenyl)methyl]sulfanyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-6634
5-(2,3-dihydro-1H-indole-1-sulfonyl)-N-(3-ethoxypropyl)-2-{[(4-methoxyphenyl)methyl]sulfanyl}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

K781-6634

Molecular Formula

C28H32N2O5S2 (C28 H32 N2 O5 S2)

Compound Name

5-(2,3-dihydro-1H-indole-1-sulfonyl)-N-(3-ethoxypropyl)-2-{[(4-methoxyphenyl)methyl]sulfanyl}benzamide

IUPAC name

n/a

SMILES

CCOCCCNC(c(cc(cc1)S(N(CC2)c3c2cccc3)(=O)=O)c1SCc(cc1)ccc1OC)=O

InChI

InChI=1S/C28H32N2O5S2/c1-3-35-18-6-16-29-28(31)25-19-24(37(32,33)30-17-15-22-7-4-5-8-26(22)30)13-14-27(25)36-20-21-9-11-23(34-2)12-10-21/h4-5,7-14,19H,3,6,15-18,20H2,1-2H3,(H,29,31)

InChI Key

WEBRQDUTPBZALK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.7

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.661

Distribution Coefficient, logD

4.661

Water Solubility, LogSw

-4.26

Polar Surface Area

71.533

Acid Dissociation Constant (pKa)

13.66

Base Dissociation Constant (pKb)

-2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.10

K781-6634 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands
Structure:
  • Cyclic compounds
Targets:
  • GPCR

References: we are preparing a list of scientific research reports with K781-6634 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-6634?
Check Price and Availability of K781-6634, 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 K781-6634 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-6634
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-6634
  • 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 K781-6634 available by request