D009-0535 Screening compound: (2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(4-methylphenyl)prop-2-en-1-one

D009-0535 Screening compound: (2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(4-methylphenyl)prop-2-en-1-one
D009-0535 Screening compound: (2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(4-methylphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0535
(2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(4-methylphenyl)prop-2-en-1-one

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

D009-0535

Molecular Formula

C26H32N2O2 (C26 H32 N2 O2)

Compound Name

(2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(4-methylphenyl)prop-2-en-1-one

IUPAC name

(2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(4-methylphenyl)prop-2-en-1-one

SMILES

CCCCN(C)CC(Cn1c(cccc2)c2c(/C=C/C(c2ccc(C)cc2)=O)c1)O

InChI

InChI=1S/C26H32N2O2/c1-4-5-16-27(3)18-23(29)19-28-17-22(24-8-6-7-9-25(24)28)14-15-26(30)21-12-10-20(2)11-13-21/h6-15,17,23,29H,4-5,16,18-19H2,1-3H3/t23-/m0/s1

InChI Key

XFJUIIGKDFPAIO-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14810686

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.814

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-4.38

Polar Surface Area

35.931

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

D009-0535 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

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 D009-0535 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0535?
Check Price and Availability of D009-0535, 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 D009-0535 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0535
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0535
  • 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 D009-0535 available by request