D336-5022 Screening compound: N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-3-fluorobenzamide

D336-5022 Screening compound: N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-3-fluorobenzamide
D336-5022 Screening compound: N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-3-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D336-5022
N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-3-fluorobenzamide

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

D336-5022

Molecular Formula

C21H15FN2OS2 (C21 H15 FN2 OS2)

Compound Name

N-[2-(benzylsulfanyl)-1,3-benzothiazol-6-yl]-3-fluorobenzamide

IUPAC name

N-[2-(benzylsulfanyl)-13-benzothiazol-6-yl]-3-fluorobenzamide

SMILES

O=C(c1cc(F)ccc1)Nc(cc1)cc2c1nc(SCc1ccccc1)s2

InChI

InChI=1S/C21H15FN2OS2/c22-16-8-4-7-15(11-16)20(25)23-17-9-10-18-19(12-17)27-21(24-18)26-13-14-5-2-1-3-6-14/h1-12H,13H2,(H,23,25)

InChI Key

IGPAXPDDOFQVOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14820134

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.587

Distribution Coefficient, logD

5.582

Water Solubility, LogSw

-5.84

Polar Surface Area

32.140

Acid Dissociation Constant (pKa)

9.36

Base Dissociation Constant (pKb)

0.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.80

D336-5022 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D336-5022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D336-5022?
Check Price and Availability of D336-5022, 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 D336-5022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D336-5022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D336-5022
  • 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 D336-5022 available by request