D356-2588 Screening compound: methyl 2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzoate

D356-2588 Screening compound: methyl 2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzoate
D356-2588 Screening compound: methyl 2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-2588
methyl 2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)benzoate

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

D356-2588

Molecular Formula

C22H17FN2O5S (C22 H17 FN2 O5 S)

Compound Name

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

IUPAC name

methyl 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)benzoate

SMILES

COC(c(cccc1)c1NC(CN(c(ccc(F)c1)c1-c1c2cccc1)S2(=O)=O)=O)=O

InChI

InChI=1S/C22H17FN2O5S/c1-30-22(27)16-7-2-4-8-18(16)24-21(26)13-25-19-11-10-14(23)12-17(19)15-6-3-5-9-20(15)31(25,28)29/h2-12H,13H2,1H3,(H,24,26)

InChI Key

VNNRHABUDGYNEL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.692

Distribution Coefficient, logD

3.679

Water Solubility, LogSw

-4.05

Polar Surface Area

74.387

Acid Dissociation Constant (pKa)

8.92

Base Dissociation Constant (pKb)

-2.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

D356-2588 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 D356-2588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-2588?
Check Price and Availability of D356-2588, 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 D356-2588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-2588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-2588
  • 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 D356-2588 available by request