8451-07178 Screening compound: 2-(2,3-dihydro-1H-indol-1-yl)-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one

8451-07178 Screening compound: 2-(2,3-dihydro-1H-indol-1-yl)-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one
8451-07178 Screening compound: 2-(2,3-dihydro-1H-indol-1-yl)-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8451-07178
2-(2,3-dihydro-1H-indol-1-yl)-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

8451-07178

Molecular Formula

C22H18FN3O (C22 H18 FN3 O)

Compound Name

2-(2,3-dihydro-1H-indol-1-yl)-7-(4-fluorophenyl)-5,6,7,8-tetrahydroquinazolin-5-one

IUPAC name

2-(23-dihydro-1H-indol-1-yl)-7-(4-fluorophenyl)-5678-tetrahydroquinazolin-5-one

SMILES

O=C(CC(C1)c(cc2)ccc2F)c2c1nc(N(CC1)c3c1cccc3)nc2

InChI

InChI=1S/C22H18FN3O/c23-17-7-5-14(6-8-17)16-11-19-18(21(27)12-16)13-24-22(25-19)26-10-9-15-3-1-2-4-20(15)26/h1-8,13,16H,9-12H2/t16-/m0/s1

InChI Key

CCPUPBBFHXWAMY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD04183011

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.4

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.461

Distribution Coefficient, logD

4.461

Water Solubility, LogSw

-4.39

Polar Surface Area

35.139

Acid Dissociation Constant (pKa)

16.67

Base Dissociation Constant (pKb)

2.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

8451-07178 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Annotated Library (21441 compounds)

Human Proteases Annotated Library (2868 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8451-07178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8451-07178?
Check Price and Availability of 8451-07178, 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 8451-07178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8451-07178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8451-07178
  • 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 8451-07178 available by request