M072-0157 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methanesulfonyl-1,3-benzothiazol-6-yl)urea

M072-0157 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methanesulfonyl-1,3-benzothiazol-6-yl)urea
M072-0157 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methanesulfonyl-1,3-benzothiazol-6-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M072-0157
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methanesulfonyl-1,3-benzothiazol-6-yl)urea

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

M072-0157

Molecular Formula

C17H15N3O5S2 (C17 H15 N3 O5 S2)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(2-methanesulfonyl-1,3-benzothiazol-6-yl)urea

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-(2-methanesulfonyl-13-benzothiazol-6-yl)urea

SMILES

CS(c1nc(ccc(NC(Nc(cc2)cc3c2OCCO3)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C17H15N3O5S2/c1-27(22,23)17-20-12-4-2-11(9-15(12)26-17)19-16(21)18-10-3-5-13-14(8-10)25-7-6-24-13/h2-5,8-9H,6-7H2,1H3,(H2,18,19,21)

InChI Key

FRCHMVRBOZFWBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.271

Distribution Coefficient, logD

2.271

Water Solubility, LogSw

-3.19

Polar Surface Area

87.609

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

M072-0157 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Anticancer Library (62698 compounds)

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with M072-0157 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M072-0157?
Check Price and Availability of M072-0157, 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 M072-0157 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M072-0157
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M072-0157
  • 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 M072-0157 available by request