M758-3812 Screening compound: N-[1-(2,1,3-benzothiadiazole-4-sulfonyl)azetidin-3-yl]-N-[(pyridin-4-yl)methyl]methanesulfonamide

M758-3812 Screening compound: N-[1-(2,1,3-benzothiadiazole-4-sulfonyl)azetidin-3-yl]-N-[(pyridin-4-yl)methyl]methanesulfonamide
M758-3812 Screening compound: N-[1-(2,1,3-benzothiadiazole-4-sulfonyl)azetidin-3-yl]-N-[(pyridin-4-yl)methyl]methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M758-3812
N-[1-(2,1,3-benzothiadiazole-4-sulfonyl)azetidin-3-yl]-N-[(pyridin-4-yl)methyl]methanesulfonamide

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

M758-3812

Molecular Formula

C16H17N5O4S3 (C16 H17 N5 O4 S3)

Compound Name

N-[1-(2,1,3-benzothiadiazole-4-sulfonyl)azetidin-3-yl]-N-[(pyridin-4-yl)methyl]methanesulfonamide

IUPAC name

N-[1-(213-benzothiadiazole-4-sulfonyl)azetidin-3-yl]-N-[(pyridin-4-yl)methyl]methanesulfonamide

SMILES

CS(N(Cc1ccncc1)C(C1)CN1S(c1cccc2nsnc12)(=O)=O)(=O)=O

InChI

InChI=1S/C16H17N5O4S3/c1-27(22,23)21(9-12-5-7-17-8-6-12)13-10-20(11-13)28(24,25)15-4-2-3-14-16(15)19-26-18-14/h2-8,13H,9-11H2,1H3

InChI Key

WXQDLZRKLNVIAC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31955386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.807

Distribution Coefficient, logD

0.792

Water Solubility, LogSw

-1.72

Polar Surface Area

93.487

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

5.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

M758-3812 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with M758-3812 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M758-3812?
Check Price and Availability of M758-3812, 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 M758-3812 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M758-3812
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M758-3812
  • 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 M758-3812 available by request