D009-0558 Screening compound: (2E)-3-{1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1H-indol-3-yl}-1-(4-methoxyphenyl)prop-2-en-1-one

D009-0558 Screening compound: (2E)-3-{1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1H-indol-3-yl}-1-(4-methoxyphenyl)prop-2-en-1-one
D009-0558 Screening compound: (2E)-3-{1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1H-indol-3-yl}-1-(4-methoxyphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D009-0558
(2E)-3-{1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1H-indol-3-yl}-1-(4-methoxyphenyl)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

D009-0558

Molecular Formula

C26H31N3O3 (C26 H31 N3 O3)

Compound Name

(2E)-3-{1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1H-indol-3-yl}-1-(4-methoxyphenyl)prop-2-en-1-one

IUPAC name

(2E)-3-{1-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-1H-indol-3-yl}-1-(4-methoxyphenyl)prop-2-en-1-one

SMILES

CN1CCN(CC(Cn2c(cccc3)c3c(/C=C/C(c(cc3)ccc3OC)=O)c2)O)CC1

InChI

InChI=1S/C26H31N3O3/c1-27-13-15-28(16-14-27)18-22(30)19-29-17-21(24-5-3-4-6-25(24)29)9-12-26(31)20-7-10-23(32-2)11-8-20/h3-12,17,22,30H,13-16,18-19H2,1-2H3/t22-/m1/s1

InChI Key

YAZNRJMYUBQGGZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD06589953

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.741

Distribution Coefficient, logD

1.715

Water Solubility, LogSw

-2.83

Polar Surface Area

46.590

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

D009-0558 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 D009-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D009-0558?
Check Price and Availability of D009-0558, 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 D009-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D009-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D009-0558
  • 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 D009-0558 available by request