M004-0254 Screening compound: 1-(2-benzenesulfonamido-1,3-benzothiazol-5-yl)-3-(3-methylbutyl)urea

M004-0254 Screening compound: 1-(2-benzenesulfonamido-1,3-benzothiazol-5-yl)-3-(3-methylbutyl)urea
M004-0254 Screening compound: 1-(2-benzenesulfonamido-1,3-benzothiazol-5-yl)-3-(3-methylbutyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M004-0254
1-(2-benzenesulfonamido-1,3-benzothiazol-5-yl)-3-(3-methylbutyl)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

M004-0254

Molecular Formula

C19H22N4O3S2 (C19 H22 N4 O3 S2)

Compound Name

1-(2-benzenesulfonamido-1,3-benzothiazol-5-yl)-3-(3-methylbutyl)urea

IUPAC name

1-(2-benzenesulfonamido-13-benzothiazol-5-yl)-3-(3-methylbutyl)urea

SMILES

CC(C)CCNC(Nc(cc1)cc2c1sc(NS(c1ccccc1)(=O)=O)n2)=O

InChI

InChI=1S/C19H22N4O3S2/c1-13(2)10-11-20-18(24)21-14-8-9-17-16(12-14)22-19(27-17)23-28(25,26)15-6-4-3-5-7-15/h3-9,12-13H,10-11H2,1-2H3,(H,22,23)(H2,20,21,24)

InChI Key

MBYZRDNJBHLKLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.554

Distribution Coefficient, logD

4.153

Water Solubility, LogSw

-4.22

Polar Surface Area

84.388

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

M004-0254 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with M004-0254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M004-0254?
Check Price and Availability of M004-0254, 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 M004-0254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M004-0254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M004-0254
  • 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 M004-0254 available by request