D356-2702 Screening compound: dimethyl 2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)terephthalate

D356-2702 Screening compound: dimethyl 2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)terephthalate
D356-2702 Screening compound: dimethyl 2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)terephthalate alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-2702
dimethyl 2-({2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetyl}amino)terephthalate

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

D356-2702

Molecular Formula

C24H19FN2O7S (C24 H19 FN2 O7 S)

Compound Name

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

IUPAC name

14-dimethyl 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)benzene-14-dicarboxylate

SMILES

COC(c(cc1)cc(NC(CN(c(ccc(F)c2)c2-c2c3cccc2)S3(=O)=O)=O)c1C(OC)=O)=O

InChI

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

InChI Key

UBCKUWLCBCDXHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856333

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

3.782

Distribution Coefficient, logD

3.735

Water Solubility, LogSw

-4.04

Polar Surface Area

95.561

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

-4.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

D356-2702 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)

RNA-Protein Interaction Inhibitors Library (1986 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 D356-2702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-2702?
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What is the minimum amount of D356-2702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-2702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-2702
  • 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 D356-2702 available by request