D408-0789 Screening compound: 1-(4-ethoxyphenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea

D408-0789 Screening compound: 1-(4-ethoxyphenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea
D408-0789 Screening compound: 1-(4-ethoxyphenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D408-0789
1-(4-ethoxyphenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-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

D408-0789

Molecular Formula

C17H17N3O4S2 (C17 H17 N3 O4 S2)

Compound Name

1-(4-ethoxyphenyl)-3-(6-methanesulfonyl-1,3-benzothiazol-2-yl)urea

IUPAC name

1-(4-ethoxyphenyl)-3-(6-methanesulfonyl-13-benzothiazol-2-yl)urea

SMILES

CCOc(cc1)ccc1NC(Nc1nc(ccc(S(C)(=O)=O)c2)c2s1)=O

InChI

InChI=1S/C17H17N3O4S2/c1-3-24-12-6-4-11(5-7-12)18-16(21)20-17-19-14-9-8-13(26(2,22)23)10-15(14)25-17/h4-10H,3H2,1-2H3,(H2,18,19,20,21)

InChI Key

VAJSHZPNHHWSOK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06757623

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

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

3.432

Distribution Coefficient, logD

3.432

Water Solubility, LogSw

-3.88

Polar Surface Area

79.175

Acid Dissociation Constant (pKa)

11.73

Base Dissociation Constant (pKb)

-0.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D408-0789 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with D408-0789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D408-0789?
Check Price and Availability of D408-0789, 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 D408-0789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D408-0789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D408-0789
  • 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 D408-0789 available by request