3506-0291 Screening compound: 3-(diethylsulfamoyl)-N-{6-[3-(diethylsulfamoyl)benzamido]pyridin-2-yl}benzamide

3506-0291 Screening compound: 3-(diethylsulfamoyl)-N-{6-[3-(diethylsulfamoyl)benzamido]pyridin-2-yl}benzamide
3506-0291 Screening compound: 3-(diethylsulfamoyl)-N-{6-[3-(diethylsulfamoyl)benzamido]pyridin-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3506-0291
3-(diethylsulfamoyl)-N-{6-[3-(diethylsulfamoyl)benzamido]pyridin-2-yl}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

3506-0291

Molecular Formula

C27H33N5O6S2 (C27 H33 N5 O6 S2)

Compound Name

3-(diethylsulfamoyl)-N-{6-[3-(diethylsulfamoyl)benzamido]pyridin-2-yl}benzamide

IUPAC name

3-(diethylsulfamoyl)-N-{6-[3-(diethylsulfamoyl)benzamido]pyridin-2-yl}benzamide

SMILES

CCN(CC)S(c1cccc(C(Nc2cccc(NC(c3cccc(S(N(CC)CC)(=O)=O)c3)=O)n2)=O)c1)(=O)=O

InChI

InChI=1S/C27H33N5O6S2/c1-5-31(6-2)39(35,36)22-14-9-12-20(18-22)26(33)29-24-16-11-17-25(28-24)30-27(34)21-13-10-15-23(19-21)40(37,38)32(7-3)8-4/h9-19H,5-8H2,1-4H3,(H2,28,29,30,33,34)

InChI Key

MPUBXCMJCCUYIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01197659

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

587.72

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.155

Distribution Coefficient, logD

4.128

Water Solubility, LogSw

-4.15

Polar Surface Area

118.364

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

3506-0291 in Drug Discovery

Included in Screening Libraries

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 3506-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3506-0291?
Check Price and Availability of 3506-0291, 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 3506-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3506-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3506-0291
  • 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 3506-0291 available by request