D009-0088 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-methylbenzamide

D009-0088 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-methylbenzamide
D009-0088 Screening compound: N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-methylbenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0088
N-[(1Z)-1-[1-(dimethylsulfamoyl)-1H-indol-3-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-methylbenzamide

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

D009-0088

Molecular Formula

C26H30N4O4S (C26 H30 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1C(N/C(/C(N1CCCCC1)=O)=C\c(c1c2cccc1)cn2S(N(C)C)(=O)=O)=O

InChI

InChI=1S/C26H30N4O4S/c1-19-11-13-20(14-12-19)25(31)27-23(26(32)29-15-7-4-8-16-29)17-21-18-30(35(33,34)28(2)3)24-10-6-5-9-22(21)24/h5-6,9-14,17-18H,4,7-8,15-16H2,1-3H3,(H,27,31)

InChI Key

HEHPJFJNMMNMOE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

494.61

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

3.517

Distribution Coefficient, logD

1.475

Water Solubility, LogSw

-3.65

Polar Surface Area

72.163

Acid Dissociation Constant (pKa)

5.36

Base Dissociation Constant (pKb)

4.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D009-0088 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D009-0088 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0088?
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What is the minimum amount of D009-0088 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0088
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0088
  • 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 D009-0088 available by request