D003-1098 Screening compound: 3-(1,2,3-benzothiadiazol-5-yl)-1-[3-(methylsulfanyl)phenyl]urea

D003-1098 Screening compound: 3-(1,2,3-benzothiadiazol-5-yl)-1-[3-(methylsulfanyl)phenyl]urea
D003-1098 Screening compound: 3-(1,2,3-benzothiadiazol-5-yl)-1-[3-(methylsulfanyl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D003-1098
3-(1,2,3-benzothiadiazol-5-yl)-1-[3-(methylsulfanyl)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

D003-1098

Molecular Formula

C14H12N4OS2 (C14 H12 N4 OS2)

Compound Name

3-(1,2,3-benzothiadiazol-5-yl)-1-[3-(methylsulfanyl)phenyl]urea

IUPAC name

3-(123-benzothiadiazol-5-yl)-1-[3-(methylsulfanyl)phenyl]urea

SMILES

CSc1cccc(NC(Nc(cc2)cc3c2snn3)=O)c1

InChI

InChI=1S/C14H12N4OS2/c1-20-11-4-2-3-9(7-11)15-14(19)16-10-5-6-13-12(8-10)17-18-21-13/h2-8H,1H3,(H2,15,16,19)

InChI Key

YQXFYUJZHAWSHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.127

Distribution Coefficient, logD

4.127

Water Solubility, LogSw

-4.28

Polar Surface Area

54.123

Acid Dissociation Constant (pKa)

11.30

Base Dissociation Constant (pKb)

-1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.14

References: we are preparing a list of scientific research reports with D003-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D003-1098?
Check Price and Availability of D003-1098, 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 D003-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D003-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D003-1098
  • 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 D003-1098 available by request