M072-0433 Screening compound: 3-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]-1-[4-(trifluoromethyl)phenyl]urea

M072-0433 Screening compound: 3-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]-1-[4-(trifluoromethyl)phenyl]urea
M072-0433 Screening compound: 3-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]-1-[4-(trifluoromethyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M072-0433
3-[2-(propane-2-sulfonyl)-1,3-benzothiazol-6-yl]-1-[4-(trifluoromethyl)phenyl]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

M072-0433

Molecular Formula

C18H16F3N3O3S2 (C18 H16 F3 N3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)S(c1nc(ccc(NC(Nc2ccc(C(F)(F)F)cc2)=O)c2)c2s1)(=O)=O

InChI

InChI=1S/C18H16F3N3O3S2/c1-10(2)29(26,27)17-24-14-8-7-13(9-15(14)28-17)23-16(25)22-12-5-3-11(4-6-12)18(19,20)21/h3-10H,1-2H3,(H2,22,23,25)

InChI Key

VALYAISWJHZYQI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27495994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.273

Distribution Coefficient, logD

5.273

Water Solubility, LogSw

-5.28

Polar Surface Area

71.809

Acid Dissociation Constant (pKa)

12.17

Base Dissociation Constant (pKb)

-1.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

M072-0433 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 M072-0433 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M072-0433?
Check Price and Availability of M072-0433, 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 M072-0433 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M072-0433
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M072-0433
  • 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 M072-0433 available by request