D356-2645 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide

D356-2645 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide
D356-2645 Screening compound: N~1~-(3-chloro-4-methoxyphenyl)-2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D356-2645
N~1~-(3-chloro-4-methoxyphenyl)-2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]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

D356-2645

Molecular Formula

C21H16ClFN2O4S (C21 H16 ClFN2 O4 S)

Compound Name

N~1~-(3-chloro-4-methoxyphenyl)-2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide

IUPAC name

N-(3-chloro-4-methoxyphenyl)-2-{13-fluoro-88-dioxo-8lambda6-thia-9-azatricyclo[8.4.0.0^{27}]tetradeca-1(14)2(7)351012-hexaen-9-yl}acetamide

SMILES

COc(ccc(NC(CN(c(ccc(F)c1)c1-c1c2cccc1)S2(=O)=O)=O)c1)c1Cl

InChI

InChI=1S/C21H16ClFN2O4S/c1-29-19-9-7-14(11-17(19)22)24-21(26)12-25-18-8-6-13(23)10-16(18)15-4-2-3-5-20(15)30(25,27)28/h2-11H,12H2,1H3,(H,24,26)

InChI Key

WSMJGSINUVFJJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856406

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.89

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

4.478

Distribution Coefficient, logD

4.477

Water Solubility, LogSw

-4.57

Polar Surface Area

61.542

Acid Dissociation Constant (pKa)

10.62

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

D356-2645 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 D356-2645 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-2645?
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What is the minimum amount of D356-2645 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-2645
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-2645
  • 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 D356-2645 available by request