D009-0043 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

D009-0043 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide
D009-0043 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0043
N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

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

D009-0043

Molecular Formula

C24H25FN4O5S (C24 H25 FN4 O5 S)

Compound Name

N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

IUPAC name

N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-2-fluorobenzamide

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(N2CCOCC2)=O)\NC(c(cccc2)c2F)=O)c1)(=O)=O

InChI

InChI=1S/C24H25FN4O5S/c1-27(2)35(32,33)29-16-17(18-7-4-6-10-22(18)29)15-21(24(31)28-11-13-34-14-12-28)26-23(30)19-8-3-5-9-20(19)25/h3-10,15-16H,11-14H2,1-2H3,(H,26,30)

InChI Key

RXZGQJNJTDGJRF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.918

Distribution Coefficient, logD

-0.960

Water Solubility, LogSw

-2.82

Polar Surface Area

80.071

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

4.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D009-0043 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D009-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0043?
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What is the minimum amount of D009-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0043
  • 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 D009-0043 available by request