K786-3968 Screening compound: methyl 2-{[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]sulfamoyl}benzoate

K786-3968 Screening compound: methyl 2-{[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]sulfamoyl}benzoate
K786-3968 Screening compound: methyl 2-{[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]sulfamoyl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3968
methyl 2-{[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]sulfamoyl}benzoate

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

K786-3968

Molecular Formula

C20H26N2O5S2 (C20 H26 N2 O5 S2)

Compound Name

methyl 2-{[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]sulfamoyl}benzoate

IUPAC name

methyl 2-{[3-(morpholin-4-yl)propyl][(thiophen-2-yl)methyl]sulfamoyl}benzoate

SMILES

COC(c(cccc1)c1S(N(CCCN1CCOCC1)Cc1cccs1)(=O)=O)=O

InChI

InChI=1S/C20H26N2O5S2/c1-26-20(23)18-7-2-3-8-19(18)29(24,25)22(16-17-6-4-15-28-17)10-5-9-21-11-13-27-14-12-21/h2-4,6-8,15H,5,9-14,16H2,1H3

InChI Key

HWKSTNZZXDMSOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15100964

Chemical and Physical Properties

Saltdata

HOOCCOOH

Molecular Weight

438.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.527

Distribution Coefficient, logD

2.456

Water Solubility, LogSw

-2.74

Polar Surface Area

65.404

Acid Dissociation Constant (pKa)

27.71

Base Dissociation Constant (pKb)

6.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

K786-3968 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Dark Chemical Matter Library (18430 compounds)

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with K786-3968 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3968?
Check Price and Availability of K786-3968, 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 K786-3968 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3968
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3968
  • 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 K786-3968 available by request