3468-0136 Screening compound: (5Z)-5-({1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

3468-0136 Screening compound: (5Z)-5-({1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
3468-0136 Screening compound: (5Z)-5-({1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3468-0136
(5Z)-5-({1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-(4-methylphenyl)-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

3468-0136

Molecular Formula

C29H25N3O5 (C29 H25 N3 O5)

Compound Name

(5Z)-5-({1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione

IUPAC name

(5Z)-5-({1-[2-(4-methoxyphenoxy)ethyl]-1H-indol-3-yl}methylidene)-1-(4-methylphenyl)-13-diazinane-246-trione

SMILES

Cc(cc1)ccc1N(C(/C(/C(N1)=O)=C\c2cn(CCOc(cc3)ccc3OC)c3c2cccc3)=O)C1=O

InChI

InChI=1S/C29H25N3O5/c1-19-7-9-21(10-8-19)32-28(34)25(27(33)30-29(32)35)17-20-18-31(26-6-4-3-5-24(20)26)15-16-37-23-13-11-22(36-2)12-14-23/h3-14,17-18H,15-16H2,1-2H3,(H,30,33,35)

InChI Key

ZPTMTHBGUBSFIN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05975657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.512

Distribution Coefficient, logD

3.941

Water Solubility, LogSw

-4.08

Polar Surface Area

70.063

Acid Dissociation Constant (pKa)

6.96

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.80

3468-0136 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3468-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3468-0136?
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What is the minimum amount of 3468-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3468-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3468-0136
  • 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 3468-0136 available by request