D356-2598 Screening compound: N~1~-(2,3-dimethylphenyl)-2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide

D356-2598 Screening compound: N~1~-(2,3-dimethylphenyl)-2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide
D356-2598 Screening compound: N~1~-(2,3-dimethylphenyl)-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 D356-2598
N~1~-(2,3-dimethylphenyl)-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

D356-2598

Molecular Formula

C22H19FN2O3S (C22 H19 FN2 O3 S)

Compound Name

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

IUPAC name

N-(23-dimethylphenyl)-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

Cc1cccc(NC(CN(c(ccc(F)c2)c2-c2c3cccc2)S3(=O)=O)=O)c1C

InChI

InChI=1S/C22H19FN2O3S/c1-14-6-5-8-19(15(14)2)24-22(26)13-25-20-11-10-16(23)12-18(20)17-7-3-4-9-21(17)29(25,27)28/h3-12H,13H2,1-2H3,(H,24,26)

InChI Key

RLODKYBSEHIGQL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856284

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.598

Distribution Coefficient, logD

4.598

Water Solubility, LogSw

-4.36

Polar Surface Area

53.214

Acid Dissociation Constant (pKa)

12.77

Base Dissociation Constant (pKb)

-0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

D356-2598 in Drug Discovery

Included in Screening Libraries

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D356-2598 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-2598?
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What is the minimum amount of D356-2598 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-2598
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-2598
  • 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 D356-2598 available by request