4631-0037 Screening compound: (5E)-5-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione

4631-0037 Screening compound: (5E)-5-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione
4631-0037 Screening compound: (5E)-5-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-1-phenyl-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 4631-0037
(5E)-5-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-1-phenyl-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

4631-0037

Molecular Formula

C27H21N3O4 (C27 H21 N3 O4)

Compound Name

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

IUPAC name

(5E)-5-{[1-(2-phenoxyethyl)-1H-indol-3-yl]methylidene}-1-phenyl-13-diazinane-246-trione

SMILES

O=C(/C(/C(N1c2ccccc2)=O)=C\c2cn(CCOc3ccccc3)c3c2cccc3)NC1=O

InChI

InChI=1S/C27H21N3O4/c31-25-23(26(32)30(27(33)28-25)20-9-3-1-4-10-20)17-19-18-29(24-14-8-7-13-22(19)24)15-16-34-21-11-5-2-6-12-21/h1-14,17-18H,15-16H2,(H,28,31,33)

InChI Key

ZCHBHOFJQHOMNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14710159

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.956

Distribution Coefficient, logD

3.385

Water Solubility, LogSw

-4.10

Polar Surface Area

62.519

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.40

References: we are preparing a list of scientific research reports with 4631-0037 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4631-0037?
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What is the minimum amount of 4631-0037 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4631-0037
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4631-0037
  • 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 4631-0037 available by request