D356-2665 Screening compound: N~1~-(2,4-difluorophenyl)-2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide

D356-2665 Screening compound: N~1~-(2,4-difluorophenyl)-2-[9-fluoro-5,5-dioxo-5lambda~6~-dibenzo[c,e][1,2]thiazin-6(5H)-yl]acetamide
D356-2665 Screening compound: N~1~-(2,4-difluorophenyl)-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 D356-2665
N~1~-(2,4-difluorophenyl)-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

D356-2665

Molecular Formula

C20H13F3N2O3S (C20 H13 F3 N2 O3 S)

Compound Name

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

IUPAC name

N-(24-difluorophenyl)-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)Nc(ccc(F)c1)c1F

InChI

InChI=1S/C20H13F3N2O3S/c21-12-6-8-18-15(9-12)14-3-1-2-4-19(14)29(27,28)25(18)11-20(26)24-17-7-5-13(22)10-16(17)23/h1-10H,11H2,(H,24,26)

InChI Key

BPMHGODRQINKDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14856303

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.4

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

3.883

Distribution Coefficient, logD

3.875

Water Solubility, LogSw

-4.14

Polar Surface Area

53.214

Acid Dissociation Constant (pKa)

9.14

Base Dissociation Constant (pKb)

-2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.00

D356-2665 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D356-2665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D356-2665?
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What is the minimum amount of D356-2665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D356-2665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D356-2665
  • 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 D356-2665 available by request