D356-2731 Screening compound: dimethyl 5-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)isophthalate

D356-2731 Screening compound: dimethyl 5-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)isophthalate
D356-2731 Screening compound: dimethyl 5-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)isophthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-2731
dimethyl 5-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)isophthalate

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

D356-2731

Molecular Formula

C24H19FN2O7S (C24 H19 FN2 O7 S)

Compound Name

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

IUPAC name

13-dimethyl 5-(2-{13-fluoro-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-9-yl}acetamido)benzene-13-dicarboxylate

SMILES

COC(c1cc(NC(CN(c(ccc(F)c2)c2-c2c3cccc2)S3(=O)=O)=O)cc(C(OC)=O)c1)=O

InChI

InChI=1S/C24H19FN2O7S/c1-33-23(29)14-9-15(24(30)34-2)11-17(10-14)26-22(28)13-27-20-8-7-16(25)12-19(20)18-5-3-4-6-21(18)35(27,31)32/h3-12H,13H2,1-2H3,(H,26,28)

InChI Key

SCQIVLUEGZJHPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.49

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.456

Distribution Coefficient, logD

4.456

Water Solubility, LogSw

-4.39

Polar Surface Area

96.259

Acid Dissociation Constant (pKa)

11.68

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D356-2731 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 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
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D356-2731 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-2731?
Check Price and Availability of D356-2731, 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 D356-2731 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-2731
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-2731
  • 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 D356-2731 available by request