D009-0562 Screening compound: (2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(4-ethoxyphenyl)prop-2-en-1-one

D009-0562 Screening compound: (2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(4-ethoxyphenyl)prop-2-en-1-one
D009-0562 Screening compound: (2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(4-ethoxyphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0562
(2E)-3-(1-{3-[butyl(methyl)amino]-2-hydroxypropyl}-1H-indol-3-yl)-1-(4-ethoxyphenyl)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

D009-0562

Molecular Formula

C27H34N2O3 (C27 H34 N2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCCN(C)CC(Cn1c(cccc2)c2c(/C=C/C(c(cc2)ccc2OCC)=O)c1)O

InChI

InChI=1S/C27H34N2O3/c1-4-6-17-28(3)19-23(30)20-29-18-22(25-9-7-8-10-26(25)29)13-16-27(31)21-11-14-24(15-12-21)32-5-2/h7-16,18,23,30H,4-6,17,19-20H2,1-3H3/t23-/m0/s1

InChI Key

CIDKBTYELUXBPC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD14810697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.759

Distribution Coefficient, logD

3.508

Water Solubility, LogSw

-4.25

Polar Surface Area

43.055

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.00

D009-0562 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with D009-0562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0562?
Check Price and Availability of D009-0562, 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 D009-0562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0562
  • 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 D009-0562 available by request