4759-7985 Screening compound: (5E)-1-(3,4-dimethylphenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

4759-7985 Screening compound: (5E)-1-(3,4-dimethylphenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione
4759-7985 Screening compound: (5E)-1-(3,4-dimethylphenyl)-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 4759-7985
(5E)-1-(3,4-dimethylphenyl)-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

4759-7985

Molecular Formula

C27H26N4O5 (C27 H26 N4 O5)

Compound Name

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

IUPAC name

(5E)-1-(34-dimethylphenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-13-diazinane-246-trione

SMILES

Cc(cc1)c(C)cc1N(C(/C(/C(N1)=O)=C/c2cn(CC(N3CCOCC3)=O)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C27H26N4O5/c1-17-7-8-20(13-18(17)2)31-26(34)22(25(33)28-27(31)35)14-19-15-30(23-6-4-3-5-21(19)23)16-24(32)29-9-11-36-12-10-29/h3-8,13-15H,9-12,16H2,1-2H3,(H,28,33,35)

InChI Key

LMUBYQFNJOAYPX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03248480

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.53

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.442

Distribution Coefficient, logD

2.260

Water Solubility, LogSw

-2.89

Polar Surface Area

79.424

Acid Dissociation Constant (pKa)

7.68

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.90

4759-7985 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 4759-7985 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 4759-7985 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4759-7985
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4759-7985
  • 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 4759-7985 available by request