E880-0746 Screening compound: N-(5-{[(4-chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)propanamide

E880-0746 Screening compound: N-(5-{[(4-chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)propanamide
E880-0746 Screening compound: N-(5-{[(4-chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E880-0746
N-(5-{[(4-chlorophenyl)methyl](methyl)sulfamoyl}-1,3,4-thiadiazol-2-yl)propanamide

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

E880-0746

Molecular Formula

C13H15ClN4O3S2 (C13 H15 ClN4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C13H15ClN4O3S2/c1-3-11(19)15-12-16-17-13(22-12)23(20,21)18(2)8-9-4-6-10(14)7-5-9/h4-7H,3,8H2,1-2H3,(H,15,16,19)

InChI Key

ZAKLXWUZNGZXNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14925411

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.87

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

2.821

Distribution Coefficient, logD

2.471

Water Solubility, LogSw

-3.54

Polar Surface Area

79.272

Acid Dissociation Constant (pKa)

7.31

Base Dissociation Constant (pKb)

-6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

E880-0746 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS MPO Library (28609 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
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with E880-0746 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E880-0746?
Check Price and Availability of E880-0746, 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 E880-0746 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E880-0746
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E880-0746
  • 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 E880-0746 available by request