M810-0442 Screening compound: ethyl 3-{2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamido}benzoate

M810-0442 Screening compound: ethyl 3-{2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamido}benzoate
M810-0442 Screening compound: ethyl 3-{2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound M810-0442
ethyl 3-{2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamido}benzoate

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

M810-0442

Molecular Formula

C15H16N4O4S2 (C15 H16 N4 O4 S2)

Compound Name

ethyl 3-{2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazole-5-sulfonamido}benzoate

IUPAC name

ethyl 3-{26-dimethylimidazo[21-b][134]thiadiazole-5-sulfonamido}benzoate

SMILES

CCOC(c1cccc(NS(c2c(C)nc3sc(C)nn23)(=O)=O)c1)=O

InChI

InChI=1S/C15H16N4O4S2/c1-4-23-14(20)11-6-5-7-12(8-11)18-25(21,22)13-9(2)16-15-19(13)17-10(3)24-15/h5-8,18H,4H2,1-3H3

InChI Key

FMODNXCSDLLLKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27554425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.809

Distribution Coefficient, logD

2.757

Water Solubility, LogSw

-3.39

Polar Surface Area

83.006

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

M810-0442 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with M810-0442 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M810-0442?
Check Price and Availability of M810-0442, 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 M810-0442 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M810-0442
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M810-0442
  • 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 M810-0442 available by request