8019-5435 Screening compound: 3-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-4(3H)-quinazolinone

8019-5435 Screening compound: 3-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-4(3H)-quinazolinone
8019-5435 Screening compound: 3-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-4(3H)-quinazolinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-5435
3-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-4(3H)-quinazolinone

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

8019-5435

Molecular Formula

C20H18N4O5 (C20 H18 N4 O5)

Compound Name

3-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl}-4(3H)-quinazolinone

IUPAC name

3-{[5-(345-trimethoxyphenyl)-134-oxadiazol-2-yl]methyl}-34-dihydroquinazolin-4-one

SMILES

COc1cc(-c2nnc(CN(C=Nc3c4cccc3)C4=O)o2)cc(OC)c1OC

InChI

InChI=1S/C20H18N4O5/c1-26-15-8-12(9-16(27-2)18(15)28-3)19-23-22-17(29-19)10-24-11-21-14-7-5-4-6-13(14)20(24)25/h4-9,11H,10H2,1-3H3

InChI Key

KMUMCONSPBLFFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10038156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.39

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

1.325

Distribution Coefficient, logD

1.325

Water Solubility, LogSw

-2.37

Polar Surface Area

79.498

Acid Dissociation Constant (pKa)

32.86

Base Dissociation Constant (pKb)

1.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

8019-5435 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 8019-5435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-5435?
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What is the minimum amount of 8019-5435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-5435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-5435
  • 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 8019-5435 available by request