M072-0528 Screening compound: 1-(4-methoxy-2-methylphenyl)-3-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea

M072-0528 Screening compound: 1-(4-methoxy-2-methylphenyl)-3-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea
M072-0528 Screening compound: 1-(4-methoxy-2-methylphenyl)-3-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M072-0528
1-(4-methoxy-2-methylphenyl)-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

M072-0528

Molecular Formula

C19H21N3O4S2 (C19 H21 N3 O4 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)S(c1nc(ccc(NC(Nc(cc2)c(C)cc2OC)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C19H21N3O4S2/c1-11(2)28(24,25)19-22-16-7-5-13(10-17(16)27-19)20-18(23)21-15-8-6-14(26-4)9-12(15)3/h5-11H,1-4H3,(H2,20,21,23)

InChI Key

VNXFYTVCTZXWMA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27496045

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.431

Distribution Coefficient, logD

4.431

Water Solubility, LogSw

-4.41

Polar Surface Area

78.655

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

0.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M072-0528 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 M072-0528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M072-0528?
Check Price and Availability of M072-0528, 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 M072-0528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M072-0528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M072-0528
  • 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 M072-0528 available by request