4588-1389 Screening compound: (5Z)-5-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione

4588-1389 Screening compound: (5Z)-5-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione
4588-1389 Screening compound: (5Z)-5-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4588-1389
(5Z)-5-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-1-(prop-2-en-1-yl)-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

4588-1389

Molecular Formula

C23H18FN3O3 (C23 H18 FN3 O3)

Compound Name

(5Z)-5-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-1-(prop-2-en-1-yl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-({1-[(2-fluorophenyl)methyl]-1H-indol-3-yl}methylidene)-1-(prop-2-en-1-yl)-13-diazinane-246-trione

SMILES

C=CCN(C(/C(/C(N1)=O)=C\c2cn(Cc(cccc3)c3F)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C23H18FN3O3/c1-2-11-27-22(29)18(21(28)25-23(27)30)12-16-14-26(20-10-6-4-8-17(16)20)13-15-7-3-5-9-19(15)24/h2-10,12,14H,1,11,13H2,(H,25,28,30)

InChI Key

JRMKYBURMRWZAU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07546394

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.608

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.59

Polar Surface Area

55.984

Acid Dissociation Constant (pKa)

7.86

Base Dissociation Constant (pKb)

-4.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

4588-1389 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 4588-1389 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4588-1389?
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What is the minimum amount of 4588-1389 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4588-1389
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4588-1389
  • 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 4588-1389 available by request