3506-0292 Screening compound: 3-(diethylsulfamoyl)-N-{5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide

3506-0292 Screening compound: 3-(diethylsulfamoyl)-N-{5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide
3506-0292 Screening compound: 3-(diethylsulfamoyl)-N-{5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3506-0292
3-(diethylsulfamoyl)-N-{5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-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

3506-0292

Molecular Formula

C21H24N4O3S2 (C21 H24 N4 O3 S2)

Compound Name

3-(diethylsulfamoyl)-N-{5-[(3-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

3-(diethylsulfamoyl)-N-{5-[(3-methylphenyl)methyl]-134-thiadiazol-2-yl}benzamide

SMILES

CCN(CC)S(c1cc(C(Nc2nnc(Cc3cc(C)ccc3)s2)=O)ccc1)(=O)=O

InChI

InChI=1S/C21H24N4O3S2/c1-4-25(5-2)30(27,28)18-11-7-10-17(14-18)20(26)22-21-24-23-19(29-21)13-16-9-6-8-15(3)12-16/h6-12,14H,4-5,13H2,1-3H3,(H,22,24,26)

InChI Key

CUNPPOJDTKXPBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01197660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.58

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.434

Distribution Coefficient, logD

3.682

Water Solubility, LogSw

-4.32

Polar Surface Area

78.195

Acid Dissociation Constant (pKa)

6.73

Base Dissociation Constant (pKb)

-3.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

3506-0292 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3506-0292 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3506-0292?
Check Price and Availability of 3506-0292, 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 3506-0292 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3506-0292
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3506-0292
  • 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 3506-0292 available by request