8017-2666 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-N'-(4-chlorophenyl)urea

8017-2666 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-N'-(4-chlorophenyl)urea
8017-2666 Screening compound: N-(2,1,3-benzothiadiazol-4-yl)-N'-(4-chlorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2666
N-(2,1,3-benzothiadiazol-4-yl)-N'-(4-chlorophenyl)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

8017-2666

Molecular Formula

C13H9ClN4OS (C13 H9 ClN4 OS)

Compound Name

N-(2,1,3-benzothiadiazol-4-yl)-N'-(4-chlorophenyl)urea

IUPAC name

3-(213-benzothiadiazol-4-yl)-1-(4-chlorophenyl)urea

SMILES

O=C(Nc(cc1)ccc1Cl)Nc1cccc2nsnc12

InChI

InChI=1S/C13H9ClN4OS/c14-8-4-6-9(7-5-8)15-13(19)16-10-2-1-3-11-12(10)18-20-17-11/h1-7H,(H2,15,16,19)

InChI Key

AKBREOYDSCCWEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06015449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

304.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.298

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.90

Polar Surface Area

52.796

Acid Dissociation Constant (pKa)

11.54

Base Dissociation Constant (pKb)

-0.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8017-2666 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-2666 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2666?
Check Price and Availability of 8017-2666, 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 8017-2666 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2666
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2666
  • 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 8017-2666 available by request