D009-0134 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide

D009-0134 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
D009-0134 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0134
N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-(morpholin-4-yl)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide

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

D009-0134

Molecular Formula

C25H28N4O6S (C25 H28 N4 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(N2CCOCC2)=O)\NC(c(cc2)ccc2OC)=O)c1)(=O)=O

InChI

InChI=1S/C25H28N4O6S/c1-27(2)36(32,33)29-17-19(21-6-4-5-7-23(21)29)16-22(25(31)28-12-14-35-15-13-28)26-24(30)18-8-10-20(34-3)11-9-18/h4-11,16-17H,12-15H2,1-3H3,(H,26,30)

InChI Key

ZUXYGGOQTFWVKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.59

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.917

Distribution Coefficient, logD

0.273

Water Solubility, LogSw

-2.54

Polar Surface Area

87.615

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

4.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

D009-0134 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D009-0134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0134?
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What is the minimum amount of D009-0134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0134
  • 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 D009-0134 available by request