D003-0046 Screening compound: 3-(1,2,3-benzothiadiazol-5-yl)-1-(2-fluorophenyl)urea

D003-0046 Screening compound: 3-(1,2,3-benzothiadiazol-5-yl)-1-(2-fluorophenyl)urea
D003-0046 Screening compound: 3-(1,2,3-benzothiadiazol-5-yl)-1-(2-fluorophenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound D003-0046
3-(1,2,3-benzothiadiazol-5-yl)-1-(2-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

D003-0046

Molecular Formula

C13H9FN4OS (C13 H9 FN4 OS)

Compound Name

3-(1,2,3-benzothiadiazol-5-yl)-1-(2-fluorophenyl)urea

IUPAC name

3-(123-benzothiadiazol-5-yl)-1-(2-fluorophenyl)urea

SMILES

O=C(Nc(cc1)cc2c1snn2)Nc(cccc1)c1F

InChI

InChI=1S/C13H9FN4OS/c14-9-3-1-2-4-10(9)16-13(19)15-8-5-6-12-11(7-8)17-18-20-12/h1-7H,(H2,15,16,19)

InChI Key

CCPHZWIBTQYHGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810214

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

288.31

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

3.447

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-3.86

Polar Surface Area

53.425

Acid Dissociation Constant (pKa)

10.28

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with D003-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D003-0046?
Check Price and Availability of D003-0046, 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 D003-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D003-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D003-0046
  • 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 D003-0046 available by request