D009-0041 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-2-yl]-2-fluorobenzamide

D009-0041 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-2-yl]-2-fluorobenzamide
D009-0041 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-2-yl]-2-fluorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0041
N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(pyrrolidin-1-yl)prop-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

D009-0041

Molecular Formula

C24H25FN4O4S (C24 H25 FN4 O4 S)

Compound Name

N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-2-yl]-2-fluorobenzamide

IUPAC name

N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-2-yl]-2-fluorobenzamide

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(N2CCCC2)=O)\NC(c(cccc2)c2F)=O)c1)(=O)=O

InChI

InChI=1S/C24H25FN4O4S/c1-27(2)34(32,33)29-16-17(18-9-4-6-12-22(18)29)15-21(24(31)28-13-7-8-14-28)26-23(30)19-10-3-5-11-20(19)25/h3-6,9-12,15-16H,7-8,13-14H2,1-2H3,(H,26,30)

InChI Key

GJCZSJZKWWEEJZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810426

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.789

Distribution Coefficient, logD

-0.089

Water Solubility, LogSw

-3.59

Polar Surface Area

72.529

Acid Dissociation Constant (pKa)

26.02

Base Dissociation Constant (pKb)

4.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

D009-0041 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D009-0041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0041?
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What is the minimum amount of D009-0041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0041
  • 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 D009-0041 available by request