D367-0446 Screening compound: 2-{[(furan-2-yl)methyl]amino}-4-methyl-7-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-one

D367-0446 Screening compound: 2-{[(furan-2-yl)methyl]amino}-4-methyl-7-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-one
D367-0446 Screening compound: 2-{[(furan-2-yl)methyl]amino}-4-methyl-7-(2-methylphenyl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D367-0446
2-{[(furan-2-yl)methyl]amino}-4-methyl-7-(2-methylphenyl)-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

D367-0446

Molecular Formula

C21H21N3O2 (C21 H21 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(C(Cc2c3c(C)nc(NCc4ccco4)n2)CC3=O)cccc1

InChI

InChI=1S/C21H21N3O2/c1-13-6-3-4-8-17(13)15-10-18-20(19(25)11-15)14(2)23-21(24-18)22-12-16-7-5-9-26-16/h3-9,15H,10-12H2,1-2H3,(H,22,23,24)/t15-/m1/s1

InChI Key

WVJOLRDENPAOME-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08709442

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.490

Distribution Coefficient, logD

4.490

Water Solubility, LogSw

-4.44

Polar Surface Area

52.902

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D367-0446 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 D367-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D367-0446?
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What is the minimum amount of D367-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D367-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D367-0446
  • 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 D367-0446 available by request