8211-0177 Screening compound: 2-[(4-ethylphenyl)amino]-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one

8211-0177 Screening compound: 2-[(4-ethylphenyl)amino]-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one
8211-0177 Screening compound: 2-[(4-ethylphenyl)amino]-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8211-0177
2-[(4-ethylphenyl)amino]-7-(4-fluorophenyl)-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

8211-0177

Molecular Formula

C22H20FN3O (C22 H20 FN3 O)

Compound Name

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

IUPAC name

2-[(4-ethylphenyl)amino]-7-(4-fluorophenyl)-5678-tetrahydroquinazolin-5-one

SMILES

CCc(cc1)ccc1Nc(nc1)nc(CC(C2)c(cc3)ccc3F)c1C2=O

InChI

InChI=1S/C22H20FN3O/c1-2-14-3-9-18(10-4-14)25-22-24-13-19-20(26-22)11-16(12-21(19)27)15-5-7-17(23)8-6-15/h3-10,13,16H,2,11-12H2,1H3,(H,24,25,26)/t16-/m0/s1

InChI Key

OXKYCYULUFRFFQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD05702018

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.280

Distribution Coefficient, logD

5.280

Water Solubility, LogSw

-5.00

Polar Surface Area

43.776

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

0.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

8211-0177 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8211-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8211-0177?
Check Price and Availability of 8211-0177, 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 8211-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8211-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8211-0177
  • 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 8211-0177 available by request