D356-2613 Screening compound: N~1~-{2-[(3-chlorobenzyl)sulfanyl]ethyl}-2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide

D356-2613 Screening compound: N~1~-{2-[(3-chlorobenzyl)sulfanyl]ethyl}-2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide
D356-2613 Screening compound: N~1~-{2-[(3-chlorobenzyl)sulfanyl]ethyl}-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 D356-2613
N~1~-{2-[(3-chlorobenzyl)sulfanyl]ethyl}-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

D356-2613

Molecular Formula

C23H20ClFN2O3S2 (C23 H20 ClFN2 O3 S2)

Compound Name

N~1~-{2-[(3-chlorobenzyl)sulfanyl]ethyl}-2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide

IUPAC name

N-(2-{[(3-chlorophenyl)methyl]sulfanyl}ethyl)-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

O=C(CN(c(ccc(F)c1)c1-c1c2cccc1)S2(=O)=O)NCCSCc1cccc(Cl)c1

InChI

InChI=1S/C23H20ClFN2O3S2/c24-17-5-3-4-16(12-17)15-31-11-10-26-23(28)14-27-21-9-8-18(25)13-20(21)19-6-1-2-7-22(19)32(27,29)30/h1-9,12-13H,10-11,14-15H2,(H,26,28)

InChI Key

PEYZVMVHHZZMGT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856349

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.01

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.777

Distribution Coefficient, logD

4.777

Water Solubility, LogSw

-4.91

Polar Surface Area

55.075

Acid Dissociation Constant (pKa)

14.76

Base Dissociation Constant (pKb)

-0.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

D356-2613 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

KRAS-Targeted Library (16000 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
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D356-2613 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-2613?
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What is the minimum amount of D356-2613 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-2613
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-2613
  • 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 D356-2613 available by request