Y020-7845 Screening compound: 2-{[(furan-2-yl)methyl]amino}-7-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-one

Y020-7845 Screening compound: 2-{[(furan-2-yl)methyl]amino}-7-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-one
Y020-7845 Screening compound: 2-{[(furan-2-yl)methyl]amino}-7-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y020-7845
2-{[(furan-2-yl)methyl]amino}-7-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-one

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

Y020-7845

Molecular Formula

C20H19N3O3 (C20 H19 N3 O3)

Compound Name

2-{[(furan-2-yl)methyl]amino}-7-(4-methoxyphenyl)-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-{[(furan-2-yl)methyl]amino}-7-(4-methoxyphenyl)-5678-tetrahydroquinazolin-5-one

SMILES

COc1ccc(C(Cc2c3cnc(NCc4ccco4)n2)CC3=O)cc1

InChI

InChI=1S/C20H19N3O3/c1-25-15-6-4-13(5-7-15)14-9-18-17(19(24)10-14)12-22-20(23-18)21-11-16-3-2-8-26-16/h2-8,12,14H,9-11H2,1H3,(H,21,22,23)/t14-/m1/s1

InChI Key

FXMVAIWAXLKLCY-CQSZACIVSA-N

MDL Number (MFCD)

MFCD05671441

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.581

Distribution Coefficient, logD

3.581

Water Solubility, LogSw

-3.59

Polar Surface Area

60.390

Acid Dissociation Constant (pKa)

14.96

Base Dissociation Constant (pKb)

0.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y020-7845 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 Y020-7845 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y020-7845?
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What is the minimum amount of Y020-7845 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y020-7845
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y020-7845
  • 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 Y020-7845 available by request