M072-0526 Screening compound: 1-[4-(methylsulfanyl)phenyl]-3-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea

M072-0526 Screening compound: 1-[4-(methylsulfanyl)phenyl]-3-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea
M072-0526 Screening compound: 1-[4-(methylsulfanyl)phenyl]-3-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M072-0526
1-[4-(methylsulfanyl)phenyl]-3-[2-(propane-2-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

M072-0526

Molecular Formula

C18H19N3O3S3 (C18 H19 N3 O3 S3)

Compound Name

1-[4-(methylsulfanyl)phenyl]-3-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea

IUPAC name

1-[4-(methylsulfanyl)phenyl]-3-[2-(propane-2-sulfonyl)-13-benzothiazol-6-yl]urea

SMILES

CC(C)S(c1nc(ccc(NC(Nc(cc2)ccc2SC)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C18H19N3O3S3/c1-11(2)27(23,24)18-21-15-9-6-13(10-16(15)26-18)20-17(22)19-12-4-7-14(25-3)8-5-12/h4-11H,1-3H3,(H2,19,20,22)

InChI Key

UMSOWNXKWDANNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.57

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.120

Distribution Coefficient, logD

5.120

Water Solubility, LogSw

-5.00

Polar Surface Area

71.809

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-0.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

M072-0526 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 M072-0526 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M072-0526?
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What is the minimum amount of M072-0526 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M072-0526
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M072-0526
  • 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 M072-0526 available by request