M072-0553 Screening compound: 1-(3,4-dimethoxyphenyl)-3-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]urea

M072-0553 Screening compound: 1-(3,4-dimethoxyphenyl)-3-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]urea
M072-0553 Screening compound: 1-(3,4-dimethoxyphenyl)-3-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M072-0553
1-(3,4-dimethoxyphenyl)-3-[2-(2-methylpropanesulfonyl)-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

M072-0553

Molecular Formula

C20H23N3O5S2 (C20 H23 N3 O5 S2)

Compound Name

1-(3,4-dimethoxyphenyl)-3-[2-(2-methylpropanesulfonyl)-1,3-benzothiazol-6-yl]urea

IUPAC name

1-(34-dimethoxyphenyl)-3-[2-(2-methylpropanesulfonyl)-13-benzothiazol-6-yl]urea

SMILES

CC(C)CS(c1nc(ccc(NC(Nc(cc2)cc(OC)c2OC)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C20H23N3O5S2/c1-12(2)11-30(25,26)20-23-15-7-5-14(10-18(15)29-20)22-19(24)21-13-6-8-16(27-3)17(9-13)28-4/h5-10,12H,11H2,1-4H3,(H2,21,22,24)

InChI Key

SGYYKRUFHBUBTB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496055

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.55

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

4.469

Distribution Coefficient, logD

4.469

Water Solubility, LogSw

-4.35

Polar Surface Area

86.334

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

M072-0553 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 M072-0553 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M072-0553?
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What is the minimum amount of M072-0553 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M072-0553
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M072-0553
  • 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 M072-0553 available by request