8012-4383 Screening compound: 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3-benzothiazole

8012-4383 Screening compound: 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3-benzothiazole
8012-4383 Screening compound: 2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-4383
2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3-benzothiazole

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

8012-4383

Molecular Formula

C14H9F2NS2 (C14 H9 F2 NS2)

Compound Name

2-{[(2,6-difluorophenyl)methyl]sulfanyl}-1,3-benzothiazole

IUPAC name

2-{[(26-difluorophenyl)methyl]sulfanyl}-13-benzothiazole

SMILES

Fc1cccc(F)c1CSc1nc(cccc2)c2s1

InChI

InChI=1S/C14H9F2NS2/c15-10-4-3-5-11(16)9(10)8-18-14-17-12-6-1-2-7-13(12)19-14/h1-7H,8H2

InChI Key

FROSTGGTZCMPRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01234047

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.017

Distribution Coefficient, logD

5.017

Water Solubility, LogSw

-5.01

Polar Surface Area

9.048

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8012-4383 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-4383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-4383?
Check Price and Availability of 8012-4383, 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 8012-4383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-4383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-4383
  • 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 8012-4383 available by request