5628-0663 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide

5628-0663 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide
5628-0663 Screening compound: N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5628-0663
N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide

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

5628-0663

Molecular Formula

C12H11N3O4S (C12 H11 N3 O4 S)

Compound Name

N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-2H-1,3-benzodioxole-5-carboxamide

IUPAC name

N-[5-(methoxymethyl)-134-thiadiazol-2-yl]-2H-13-benzodioxole-5-carboxamide

SMILES

COCc1nnc(NC(c(cc2)cc3c2OCO3)=O)s1

InChI

InChI=1S/C12H11N3O4S/c1-17-5-10-14-15-12(20-10)13-11(16)7-2-3-8-9(4-7)19-6-18-8/h2-4H,5-6H2,1H3,(H,13,15,16)

InChI Key

NADRPEIWAINTIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03616236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.811

Distribution Coefficient, logD

1.613

Water Solubility, LogSw

-2.55

Polar Surface Area

72.909

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-4.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

5628-0663 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5628-0663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5628-0663?
Check Price and Availability of 5628-0663, 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 5628-0663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5628-0663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5628-0663
  • 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 5628-0663 available by request