D356-2641 Screening compound: 2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-pyridylmethyl)acetamide

D356-2641 Screening compound: 2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-pyridylmethyl)acetamide
D356-2641 Screening compound: 2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-pyridylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-2641
2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-pyridylmethyl)acetamide

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

D356-2641

Molecular Formula

C20H16FN3O3S (C20 H16 FN3 O3 S)

Compound Name

2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]-N~1~-(3-pyridylmethyl)acetamide

IUPAC name

2-{13-fluoro-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-9-yl}-N-[(pyridin-3-yl)methyl]acetamide

SMILES

O=C(CN(c(ccc(F)c1)c1-c1c2cccc1)S2(=O)=O)NCc1cnccc1

InChI

InChI=1S/C20H16FN3O3S/c21-15-7-8-18-17(10-15)16-5-1-2-6-19(16)28(26,27)24(18)13-20(25)23-12-14-4-3-9-22-11-14/h1-11H,12-13H2,(H,23,25)

InChI Key

UNURHVQDMVLUFT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.317

Distribution Coefficient, logD

2.315

Water Solubility, LogSw

-3.02

Polar Surface Area

64.751

Acid Dissociation Constant (pKa)

14.11

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

D356-2641 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D356-2641 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-2641?
Check Price and Availability of D356-2641, 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 D356-2641 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-2641
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-2641
  • 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 D356-2641 available by request