D009-0315 Screening compound: N-[(1Z)-1-(1-ethyl-1H-indol-3-yl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-methylbenzamide

D009-0315 Screening compound: N-[(1Z)-1-(1-ethyl-1H-indol-3-yl)-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]-4-methylbenzamide
D009-0315 Screening compound: N-[(1Z)-1-(1-ethyl-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 D009-0315
N-[(1Z)-1-(1-ethyl-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

D009-0315

Molecular Formula

C26H29N3O2 (C26 H29 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCn1c(cccc2)c2c(/C=C(/C(N2CCCCC2)=O)\NC(c2ccc(C)cc2)=O)c1

InChI

InChI=1S/C26H29N3O2/c1-3-28-18-21(22-9-5-6-10-24(22)28)17-23(26(31)29-15-7-4-8-16-29)27-25(30)20-13-11-19(2)12-14-20/h5-6,9-14,17-18H,3-4,7-8,15-16H2,1-2H3,(H,27,30)

InChI Key

UYDCSWMSWPCQON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14810590

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.464

Distribution Coefficient, logD

3.589

Water Solubility, LogSw

-4.03

Polar Surface Area

40.540

Acid Dissociation Constant (pKa)

6.59

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

D009-0315 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Lipid Metabolism Library (9174 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D009-0315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0315?
Check Price and Availability of D009-0315, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D009-0315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0315
  • 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 D009-0315 available by request