E880-0721 Screening compound: N-(5-{[(4-chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide

E880-0721 Screening compound: N-(5-{[(4-chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide
E880-0721 Screening compound: N-(5-{[(4-chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E880-0721
N-(5-{[(4-chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide

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

E880-0721

Molecular Formula

C18H17ClN4O3S2 (C18 H17 ClN4 O3 S2)

Compound Name

N-(5-{[(4-chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)-2-methylbenzamide

IUPAC name

N-(5-{[(4-chlorophenyl)methyl](methyl)sulfamoyl}-134-thiadiazol-2-yl)-2-methylbenzamide

SMILES

Cc(cccc1)c1C(Nc(s1)nnc1S(N(C)Cc(cc1)ccc1Cl)(=O)=O)=O

InChI

InChI=1S/C18H17ClN4O3S2/c1-12-5-3-4-6-15(12)16(24)20-17-21-22-18(27-17)28(25,26)23(2)11-13-7-9-14(19)10-8-13/h3-10H,11H2,1-2H3,(H,20,21,24)

InChI Key

UBNPOSJLWUBQME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925403

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.94

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.262

Distribution Coefficient, logD

2.118

Water Solubility, LogSw

-4.68

Polar Surface Area

79.214

Acid Dissociation Constant (pKa)

5.26

Base Dissociation Constant (pKb)

-7.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

E880-0721 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E880-0721 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E880-0721?
Check Price and Availability of E880-0721, 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 E880-0721 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E880-0721
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E880-0721
  • 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 E880-0721 available by request