8016-0491 Screening compound: 2,4-DIFLUORO-1,3-DIMORPHOLINO-12H-[1,3]BENZIMIDAZO[2,1-B][1,3]BENZOTHIAZIN-12-ONE

8016-0491 Screening compound: 2,4-DIFLUORO-1,3-DIMORPHOLINO-12H-[1,3]BENZIMIDAZO[2,1-B][1,3]BENZOTHIAZIN-12-ONE
8016-0491 Screening compound: 2,4-DIFLUORO-1,3-DIMORPHOLINO-12H-[1,3]BENZIMIDAZO[2,1-B][1,3]BENZOTHIAZIN-12-ONE alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0491
2,4-DIFLUORO-1,3-DIMORPHOLINO-12H-[1,3]BENZIMIDAZO[2,1-B][1,3]BENZOTHIAZIN-12-ONE

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

8016-0491

Molecular Formula

C22H20F2N4O3S (C22 H20 F2 N4 O3 S)

Compound Name

2,4-DIFLUORO-1,3-DIMORPHOLINO-12H-[1,3]BENZIMIDAZO[2,1-B][1,3]BENZOTHIAZIN-12-ONE

IUPAC name

n/a

SMILES

O=C(c(c(S1)c(c(N2CCOCC2)c2F)F)c2N2CCOCC2)n2c1nc1c2cccc1

InChI

InChI=1S/C22H20F2N4O3S/c23-16-18(26-5-9-30-10-6-26)15-20(17(24)19(16)27-7-11-31-12-8-27)32-22-25-13-3-1-2-4-14(13)28(22)21(15)29/h1-4H,5-12H2

InChI Key

CNFHDLOKCITJSQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05259935

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

458.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.962

Distribution Coefficient, logD

2.962

Water Solubility, LogSw

-3.17

Polar Surface Area

45.605

Acid Dissociation Constant (pKa)

27.87

Base Dissociation Constant (pKb)

-1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.40

8016-0491 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PI3K-Targeted Library (17255 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8016-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0491?
Check Price and Availability of 8016-0491, 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 8016-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0491
  • 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 8016-0491 available by request