4759-7989 Screening compound: (5E)-1-(3-fluorophenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione

4759-7989 Screening compound: (5E)-1-(3-fluorophenyl)-5-({1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-3-yl}methylidene)-1,3-diazinane-2,4,6-trione
4759-7989 Screening compound: (5E)-1-(3-fluorophenyl)-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 4759-7989
(5E)-1-(3-fluorophenyl)-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

4759-7989

Molecular Formula

C25H21FN4O5 (C25 H21 FN4 O5)

Compound Name

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

SMILES

O=C(Cn1c(cccc2)c2c(/C=C(\C(NC(N2c3cccc(F)c3)=O)=O)/C2=O)c1)N1CCOCC1

InChI

InChI=1S/C25H21FN4O5/c26-17-4-3-5-18(13-17)30-24(33)20(23(32)27-25(30)34)12-16-14-29(21-7-2-1-6-19(16)21)15-22(31)28-8-10-35-11-9-28/h1-7,12-14H,8-11,15H2,(H,27,32,34)

InChI Key

RKVWNGUPYNKDSI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04564487

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.46

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

1.385

Distribution Coefficient, logD

-0.008

Water Solubility, LogSw

-2.37

Polar Surface Area

79.424

Acid Dissociation Constant (pKa)

6.02

Base Dissociation Constant (pKb)

-1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

4759-7989 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 4759-7989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4759-7989?
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What is the minimum amount of 4759-7989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4759-7989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4759-7989
  • 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 4759-7989 available by request