8009-3899 Screening compound: N-{2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide

8009-3899 Screening compound: N-{2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide
8009-3899 Screening compound: N-{2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-3899
N-{2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide

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

8009-3899

Molecular Formula

C19H16F3N3O2S2 (C19 H16 F3 N3 O2 S2)

Compound Name

N-{2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-1,3-benzothiazol-6-yl}propanamide

IUPAC name

N-{2-[({[2-(trifluoromethyl)phenyl]carbamoyl}methyl)sulfanyl]-13-benzothiazol-6-yl}propanamide

SMILES

CCC(Nc(cc1)cc2c1nc(SCC(Nc1c(C(F)(F)F)cccc1)=O)s2)=O

InChI

InChI=1S/C19H16F3N3O2S2/c1-2-16(26)23-11-7-8-14-15(9-11)29-18(25-14)28-10-17(27)24-13-6-4-3-5-12(13)19(20,21)22/h3-9H,2,10H2,1H3,(H,23,26)(H,24,27)

InChI Key

QEWOLHKRZBSVCU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01571883

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.533

Distribution Coefficient, logD

4.533

Water Solubility, LogSw

-4.35

Polar Surface Area

54.649

Acid Dissociation Constant (pKa)

11.77

Base Dissociation Constant (pKb)

-0.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

8009-3899 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with 8009-3899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-3899?
Check Price and Availability of 8009-3899, 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 8009-3899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-3899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-3899
  • 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 8009-3899 available by request