K788-2351 Screening compound: N-[3-(butylsulfanyl)propyl]-4-[(4-fluorobenzenesulfonamido)methyl]benzamide

K788-2351 Screening compound: N-[3-(butylsulfanyl)propyl]-4-[(4-fluorobenzenesulfonamido)methyl]benzamide
K788-2351 Screening compound: N-[3-(butylsulfanyl)propyl]-4-[(4-fluorobenzenesulfonamido)methyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K788-2351
N-[3-(butylsulfanyl)propyl]-4-[(4-fluorobenzenesulfonamido)methyl]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

K788-2351

Molecular Formula

C21H27FN2O3S2 (C21 H27 FN2 O3 S2)

Compound Name

N-[3-(butylsulfanyl)propyl]-4-[(4-fluorobenzenesulfonamido)methyl]benzamide

IUPAC name

N-[3-(butylsulfanyl)propyl]-4-[(4-fluorobenzenesulfonamido)methyl]benzamide

SMILES

CCCCSCCCNC(c1ccc(CNS(c(cc2)ccc2F)(=O)=O)cc1)=O

InChI

InChI=1S/C21H27FN2O3S2/c1-2-3-14-28-15-4-13-23-21(25)18-7-5-17(6-8-18)16-24-29(26,27)20-11-9-19(22)10-12-20/h5-12,24H,2-4,13-16H2,1H3,(H,23,25)

InChI Key

LTLJQSPXRMTNOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15103765

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.59

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.886

Distribution Coefficient, logD

3.886

Water Solubility, LogSw

-3.97

Polar Surface Area

66.523

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

-1.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

K788-2351 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with K788-2351 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K788-2351?
Check Price and Availability of K788-2351, 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 K788-2351 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K788-2351
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K788-2351
  • 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 K788-2351 available by request