D367-0396 Screening compound: 2-[(4-ethylphenyl)amino]-7-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one

D367-0396 Screening compound: 2-[(4-ethylphenyl)amino]-7-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one
D367-0396 Screening compound: 2-[(4-ethylphenyl)amino]-7-(furan-2-yl)-4-methyl-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D367-0396
2-[(4-ethylphenyl)amino]-7-(furan-2-yl)-4-methyl-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

D367-0396

Molecular Formula

C21H21N3O2 (C21 H21 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CCc(cc1)ccc1Nc(nc1C)nc(CC(C2)c3ccco3)c1C2=O

InChI

InChI=1S/C21H21N3O2/c1-3-14-6-8-16(9-7-14)23-21-22-13(2)20-17(24-21)11-15(12-18(20)25)19-5-4-10-26-19/h4-10,15H,3,11-12H2,1-2H3,(H,22,23,24)/t15-/m1/s1

InChI Key

IPDZYTVVQPXDRH-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD08709433

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

4.945

Distribution Coefficient, logD

4.945

Water Solubility, LogSw

-4.67

Polar Surface Area

52.409

Acid Dissociation Constant (pKa)

16.83

Base Dissociation Constant (pKb)

1.30

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

D367-0396 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 D367-0396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D367-0396?
Check Price and Availability of D367-0396, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D367-0396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D367-0396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D367-0396
  • 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 D367-0396 available by request