4759-7977 Screening compound: (5E)-1-(3-ethoxyphenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

4759-7977 Screening compound: (5E)-1-(3-ethoxyphenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione
4759-7977 Screening compound: (5E)-1-(3-ethoxyphenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4759-7977
(5E)-1-(3-ethoxyphenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

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

4759-7977

Molecular Formula

C27H26N4O6 (C27 H26 N4 O6)

Compound Name

(5E)-1-(3-ethoxyphenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

IUPAC name

(5E)-1-(3-ethoxyphenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-13-diazinane-246-trione

SMILES

CCOc1cccc(N(C(/C(/C(N2)=O)=C/c3cn(CC(N4CCOCC4)=O)c4c3cccc4)=O)C2=O)c1

InChI

InChI=1S/C27H26N4O6/c1-2-37-20-7-5-6-19(15-20)31-26(34)22(25(33)28-27(31)35)14-18-16-30(23-9-4-3-8-21(18)23)17-24(32)29-10-12-36-13-11-29/h3-9,14-16H,2,10-13,17H2,1H3,(H,28,33,35)

InChI Key

FPGBOAFEBLHQHK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05041627

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.53

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.860

Distribution Coefficient, logD

1.489

Water Solubility, LogSw

-2.66

Polar Surface Area

86.547

Acid Dissociation Constant (pKa)

7.27

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

4759-7977 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4759-7977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4759-7977?
Check Price and Availability of 4759-7977, 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 4759-7977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4759-7977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4759-7977
  • 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 4759-7977 available by request