4111-3798 Screening compound: N,N'-bis[4-(diethylsulfamoyl)phenyl]pentanediamide

4111-3798 Screening compound: N,N'-bis[4-(diethylsulfamoyl)phenyl]pentanediamide
4111-3798 Screening compound: N,N'-bis[4-(diethylsulfamoyl)phenyl]pentanediamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4111-3798
N,N'-bis[4-(diethylsulfamoyl)phenyl]pentanediamide

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

4111-3798

Molecular Formula

C25H36N4O6S2 (C25 H36 N4 O6 S2)

Compound Name

N,N'-bis[4-(diethylsulfamoyl)phenyl]pentanediamide

IUPAC name

NN'-bis[4-(diethylsulfamoyl)phenyl]pentanediamide

SMILES

CCN(CC)S(c(cc1)ccc1NC(CCCC(Nc(cc1)ccc1S(N(CC)CC)(=O)=O)=O)=O)(=O)=O

InChI

InChI=1S/C25H36N4O6S2/c1-5-28(6-2)36(32,33)22-16-12-20(13-17-22)26-24(30)10-9-11-25(31)27-21-14-18-23(19-15-21)37(34,35)29(7-3)8-4/h12-19H,5-11H2,1-4H3,(H,26,30)(H,27,31)

InChI Key

GZKBONALCHBSLD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03130968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

552.72

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

16.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.264

Distribution Coefficient, logD

2.263

Water Solubility, LogSw

-2.95

Polar Surface Area

108.458

Acid Dissociation Constant (pKa)

10.08

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.00

4111-3798 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4111-3798 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4111-3798?
Check Price and Availability of 4111-3798, 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 4111-3798 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4111-3798
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4111-3798
  • 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 4111-3798 available by request