L110-0682 Screening compound: 1-{[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

L110-0682 Screening compound: 1-{[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione
L110-0682 Screening compound: 1-{[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L110-0682
1-{[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

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

L110-0682

Molecular Formula

C27H24N4O4 (C27 H24 N4 O4)

Compound Name

1-{[3-(3-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-[(4-methylphenyl)methyl]-1,2,3,4-tetrahydroquinazoline-2,4-dione

IUPAC name

1-{[3-(3-ethoxyphenyl)-124-oxadiazol-5-yl]methyl}-3-[(4-methylphenyl)methyl]-1234-tetrahydroquinazoline-24-dione

SMILES

CCOc1cccc(-c2noc(CN(c(cccc3)c3C(N3Cc4ccc(C)cc4)=O)C3=O)n2)c1

InChI

InChI=1S/C27H24N4O4/c1-3-34-21-8-6-7-20(15-21)25-28-24(35-29-25)17-30-23-10-5-4-9-22(23)26(32)31(27(30)33)16-19-13-11-18(2)12-14-19/h4-15H,3,16-17H2,1-2H3

InChI Key

IUZKNVOBERQNSJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.506

Distribution Coefficient, logD

5.506

Water Solubility, LogSw

-5.44

Polar Surface Area

69.733

Acid Dissociation Constant (pKa)

28.34

Base Dissociation Constant (pKb)

-6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

L110-0682 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L110-0682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L110-0682?
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What is the minimum amount of L110-0682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L110-0682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L110-0682
  • 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 L110-0682 available by request