K781-3250 Screening compound: 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N~3~-[2-(1-cyclohexenyl)ethyl]nicotinamide

K781-3250 Screening compound: 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N~3~-[2-(1-cyclohexenyl)ethyl]nicotinamide
K781-3250 Screening compound: 2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N~3~-[2-(1-cyclohexenyl)ethyl]nicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K781-3250
2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N~3~-[2-(1-cyclohexenyl)ethyl]nicotinamide

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

K781-3250

Molecular Formula

C20H29N3O2S (C20 H29 N3 O2 S)

Compound Name

2-{[2-(butylamino)-2-oxoethyl]sulfanyl}-N~3~-[2-(1-cyclohexenyl)ethyl]nicotinamide

IUPAC name

n/a

SMILES

CCCCNC(CSc1ncccc1C(NCCC1=CCCCC1)=O)=O

InChI

InChI=1S/C20H29N3O2S/c1-2-3-12-21-18(24)15-26-20-17(10-7-13-23-20)19(25)22-14-11-16-8-5-4-6-9-16/h7-8,10,13H,2-6,9,11-12,14-15H2,1H3,(H,21,24)(H,22,25)

InChI Key

OKSIRAZGPUVRRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15094103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.104

Distribution Coefficient, logD

3.104

Water Solubility, LogSw

-3.53

Polar Surface Area

58.178

Acid Dissociation Constant (pKa)

13.36

Base Dissociation Constant (pKb)

1.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

K781-3250 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K781-3250 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K781-3250?
Check Price and Availability of K781-3250, 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 K781-3250 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K781-3250
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K781-3250
  • 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 K781-3250 available by request