M004-0227 Screening compound: 3-(2-benzenesulfonamido-1,3-benzothiazol-5-yl)-1-(4-fluorophenyl)urea

M004-0227 Screening compound: 3-(2-benzenesulfonamido-1,3-benzothiazol-5-yl)-1-(4-fluorophenyl)urea
M004-0227 Screening compound: 3-(2-benzenesulfonamido-1,3-benzothiazol-5-yl)-1-(4-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound M004-0227
3-(2-benzenesulfonamido-1,3-benzothiazol-5-yl)-1-(4-fluorophenyl)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

M004-0227

Molecular Formula

C20H15FN4O3S2 (C20 H15 FN4 O3 S2)

Compound Name

3-(2-benzenesulfonamido-1,3-benzothiazol-5-yl)-1-(4-fluorophenyl)urea

IUPAC name

3-(2-benzenesulfonamido-13-benzothiazol-5-yl)-1-(4-fluorophenyl)urea

SMILES

O=C(Nc(cc1)ccc1F)Nc(cc1)cc2c1sc(NS(c1ccccc1)(=O)=O)n2

InChI

InChI=1S/C20H15FN4O3S2/c21-13-6-8-14(9-7-13)22-19(26)23-15-10-11-18-17(12-15)24-20(29-18)25-30(27,28)16-4-2-1-3-5-16/h1-12H,(H,24,25)(H2,22,23,26)

InChI Key

XWWRSCZQGWHPOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15138514

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.098

Distribution Coefficient, logD

4.697

Water Solubility, LogSw

-5.27

Polar Surface Area

82.952

Acid Dissociation Constant (pKa)

7.22

Base Dissociation Constant (pKb)

-1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with M004-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M004-0227?
Check Price and Availability of M004-0227, 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 M004-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M004-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M004-0227
  • 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 M004-0227 available by request