M072-0409 Screening compound: 1-(3,5-dimethoxyphenyl)-3-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea

M072-0409 Screening compound: 1-(3,5-dimethoxyphenyl)-3-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea
M072-0409 Screening compound: 1-(3,5-dimethoxyphenyl)-3-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M072-0409
1-(3,5-dimethoxyphenyl)-3-[2-(propane-1-sulfonyl)-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

M072-0409

Molecular Formula

C19H21N3O5S2 (C19 H21 N3 O5 S2)

Compound Name

1-(3,5-dimethoxyphenyl)-3-[2-(propane-1-sulfonyl)-1,3-benzothiazol-6-yl]urea

IUPAC name

1-(35-dimethoxyphenyl)-3-[2-(propane-1-sulfonyl)-13-benzothiazol-6-yl]urea

SMILES

CCCS(c1nc(ccc(NC(Nc2cc(OC)cc(OC)c2)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C19H21N3O5S2/c1-4-7-29(24,25)19-22-16-6-5-12(10-17(16)28-19)20-18(23)21-13-8-14(26-2)11-15(9-13)27-3/h5-6,8-11H,4,7H2,1-3H3,(H2,20,21,23)

InChI Key

QGFUPPOUJJYNBB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.543

Distribution Coefficient, logD

4.543

Water Solubility, LogSw

-4.39

Polar Surface Area

86.161

Acid Dissociation Constant (pKa)

11.66

Base Dissociation Constant (pKb)

-0.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M072-0409 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with M072-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M072-0409?
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What is the minimum amount of M072-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M072-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M072-0409
  • 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 M072-0409 available by request