3945-0041 Screening compound: 1-ethyl-2-methyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

3945-0041 Screening compound: 1-ethyl-2-methyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole
3945-0041 Screening compound: 1-ethyl-2-methyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 3945-0041
1-ethyl-2-methyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

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

3945-0041

Molecular Formula

C14H19N3O3S (C14 H19 N3 O3 S)

Compound Name

1-ethyl-2-methyl-5-(morpholine-4-sulfonyl)-1H-1,3-benzodiazole

IUPAC name

1-ethyl-2-methyl-5-(morpholine-4-sulfonyl)-1H-13-benzodiazole

SMILES

CCn1c(ccc(S(N2CCOCC2)(=O)=O)c2)c2nc1C

InChI

InChI=1S/C14H19N3O3S/c1-3-17-11(2)15-13-10-12(4-5-14(13)17)21(18,19)16-6-8-20-9-7-16/h4-5,10H,3,6-9H2,1-2H3

InChI Key

XKSNWPRSOHVHHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00603841

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.586

Distribution Coefficient, logD

1.555

Water Solubility, LogSw

-2.38

Polar Surface Area

50.560

Acid Dissociation Constant (pKa)

24.13

Base Dissociation Constant (pKb)

6.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

3945-0041 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3945-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3945-0041?
Check Price and Availability of 3945-0041, 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 3945-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3945-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3945-0041
  • 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 3945-0041 available by request