M810-1049 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-2-(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

M810-1049 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-2-(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide
M810-1049 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-2-(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M810-1049
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-2-(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

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

M810-1049

Molecular Formula

C16H18N4O4S2 (C16 H18 N4 O4 S2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-methyl-2-(propan-2-yl)imidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamide

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-6-methyl-2-(propan-2-yl)imidazo[21-b][134]thiadiazole-5-sulfonamide

SMILES

CC(C)c(s1)nn2c1nc(C)c2S(NCc(cc1)cc2c1OCO2)(=O)=O

InChI

InChI=1S/C16H18N4O4S2/c1-9(2)14-19-20-15(10(3)18-16(20)25-14)26(21,22)17-7-11-4-5-12-13(6-11)24-8-23-12/h4-6,9,17H,7-8H2,1-3H3

InChI Key

ALJVQEQWIWCGSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.39

Polar Surface Area

80.670

Acid Dissociation Constant (pKa)

8.81

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

M810-1049 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with M810-1049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M810-1049?
Check Price and Availability of M810-1049, 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 M810-1049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M810-1049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M810-1049
  • 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 M810-1049 available by request