D009-0179 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-3,4,5-trimethoxybenzamide

D009-0179 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-3,4,5-trimethoxybenzamide
D009-0179 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-3,4,5-trimethoxybenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0179
N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-3,4,5-trimethoxybenzamide

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

D009-0179

Molecular Formula

C28H34N4O7S (C28 H34 N4 O7 S)

Compound Name

N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-3,4,5-trimethoxybenzamide

IUPAC name

N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-345-trimethoxybenzamide

SMILES

CN(C)S(n1c(cccc2)c2c(/C=C(/C(N2CCCCC2)=O)\NC(c(cc2OC)cc(OC)c2OC)=O)c1)(=O)=O

InChI

InChI=1S/C28H34N4O7S/c1-30(2)40(35,36)32-18-20(21-11-7-8-12-23(21)32)15-22(28(34)31-13-9-6-10-14-31)29-27(33)19-16-24(37-3)26(39-5)25(17-19)38-4/h7-8,11-12,15-18H,6,9-10,13-14H2,1-5H3,(H,29,33)

InChI Key

IJHIGXNBWHTOJP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

570.67

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.874

Distribution Coefficient, logD

2.315

Water Solubility, LogSw

-3.48

Polar Surface Area

95.141

Acid Dissociation Constant (pKa)

6.98

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

D009-0179 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D009-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0179?
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What is the minimum amount of D009-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0179
  • 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 D009-0179 available by request