D356-2728 Screening compound: N~1~,N~1~-diethyl-2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzamide

D356-2728 Screening compound: N~1~,N~1~-diethyl-2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzamide
D356-2728 Screening compound: N~1~,N~1~-diethyl-2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-2728
N~1~,N~1~-diethyl-2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzamide

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

D356-2728

Molecular Formula

C25H24FN3O4S (C25 H24 FN3 O4 S)

Compound Name

N~1~,N~1~-diethyl-2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzamide

IUPAC name

NN-diethyl-2-(2-{13-fluoro-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-9-yl}acetamido)benzamide

SMILES

CCN(CC)C(c(cccc1)c1NC(CN(c(ccc(F)c1)c1-c1c2cccc1)S2(=O)=O)=O)=O

InChI

InChI=1S/C25H24FN3O4S/c1-3-28(4-2)25(31)19-10-5-7-11-21(19)27-24(30)16-29-22-14-13-17(26)15-20(22)18-9-6-8-12-23(18)34(29,32)33/h5-15H,3-4,16H2,1-2H3,(H,27,30)

InChI Key

WALXWYJAPWCQBL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856339

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.613

Water Solubility, LogSw

-3.89

Polar Surface Area

69.146

Acid Dissociation Constant (pKa)

9.91

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D356-2728 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D356-2728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-2728?
Check Price and Availability of D356-2728, 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 D356-2728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-2728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-2728
  • 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 D356-2728 available by request