8016-2485 Screening compound: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide

8016-2485 Screening compound: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide
8016-2485 Screening compound: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2485
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide

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

8016-2485

Molecular Formula

C16H13FN2O2S (C16 H13 FN2 O2 S)

Compound Name

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide

IUPAC name

N-(6-fluoro-13-benzothiazol-2-yl)-2-methoxy-3-methylbenzamide

SMILES

Cc1cccc(C(Nc2nc(ccc(F)c3)c3s2)=O)c1OC

InChI

InChI=1S/C16H13FN2O2S/c1-9-4-3-5-11(14(9)21-2)15(20)19-16-18-12-7-6-10(17)8-13(12)22-16/h3-8H,1-2H3,(H,18,19,20)

InChI Key

HMCXNFYPXIDSLY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04277409

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

316.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.349

Distribution Coefficient, logD

4.251

Water Solubility, LogSw

-4.58

Polar Surface Area

40.808

Acid Dissociation Constant (pKa)

8.00

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8016-2485 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-2485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2485?
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What is the minimum amount of 8016-2485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2485
  • 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 8016-2485 available by request