M072-0043 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]urea

M072-0043 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]urea
M072-0043 Screening compound: 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M072-0043
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(ethanesulfonyl)-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

M072-0043

Molecular Formula

C18H17N3O5S2 (C18 H17 N3 O5 S2)

Compound Name

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(ethanesulfonyl)-1,3-benzothiazol-6-yl]urea

IUPAC name

1-(23-dihydro-14-benzodioxin-6-yl)-3-[2-(ethanesulfonyl)-13-benzothiazol-6-yl]urea

SMILES

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

InChI

InChI=1S/C18H17N3O5S2/c1-2-28(23,24)18-21-13-5-3-12(10-16(13)27-18)20-17(22)19-11-4-6-14-15(9-11)26-8-7-25-14/h3-6,9-10H,2,7-8H2,1H3,(H2,19,20,22)

InChI Key

GRUMSCRHBOVCAY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.922

Distribution Coefficient, logD

2.922

Water Solubility, LogSw

-3.52

Polar Surface Area

86.896

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

1.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

M072-0043 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 M072-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M072-0043?
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What is the minimum amount of M072-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M072-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M072-0043
  • 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 M072-0043 available by request