L110-0891 Screening compound: 1-{[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-ethyl-1,2,3,4-tetrahydroquinazoline-2,4-dione

L110-0891 Screening compound: 1-{[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-ethyl-1,2,3,4-tetrahydroquinazoline-2,4-dione
L110-0891 Screening compound: 1-{[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-ethyl-1,2,3,4-tetrahydroquinazoline-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound L110-0891
1-{[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-3-ethyl-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

L110-0891

Molecular Formula

C21H20N4O5 (C21 H20 N4 O5)

Compound Name

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

IUPAC name

1-{[3-(35-dimethoxyphenyl)-124-oxadiazol-5-yl]methyl}-3-ethyl-1234-tetrahydroquinazoline-24-dione

SMILES

CCN(C(c(cccc1)c1N1Cc2nc(-c3cc(OC)cc(OC)c3)no2)=O)C1=O

InChI

InChI=1S/C21H20N4O5/c1-4-24-20(26)16-7-5-6-8-17(16)25(21(24)27)12-18-22-19(23-30-18)13-9-14(28-2)11-15(10-13)29-3/h5-11H,4,12H2,1-3H3

InChI Key

WSSWWCCPGLEPDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16638771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.329

Distribution Coefficient, logD

3.329

Water Solubility, LogSw

-3.83

Polar Surface Area

77.694

Acid Dissociation Constant (pKa)

29.86

Base Dissociation Constant (pKb)

-4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L110-0891 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L110-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L110-0891?
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What is the minimum amount of L110-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L110-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L110-0891
  • 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 L110-0891 available by request