8137-0717 Screening compound: 3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one

8137-0717 Screening compound: 3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one
8137-0717 Screening compound: 3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0717
3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-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

8137-0717

Molecular Formula

C21H16FN3O2 (C21 H16 FN3 O2)

Compound Name

3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one

IUPAC name

3-(4-fluorophenyl)-8-(furan-2-yl)-2-methyl-6H7H8H9H-pyrazolo[15-a]quinazolin-6-one

SMILES

Cc(c(-c(cc1)ccc1F)c1nc2)nn1c(CC(C1)c3ccco3)c2C1=O

InChI

InChI=1S/C21H16FN3O2/c1-12-20(13-4-6-15(22)7-5-13)21-23-11-16-17(25(21)24-12)9-14(10-18(16)26)19-3-2-8-27-19/h2-8,11,14H,9-10H2,1H3/t14-/m1/s1

InChI Key

ACQSLOHWPIMZBN-CQSZACIVSA-N

MDL Number (MFCD)

MFCD06752954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.353

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.43

Polar Surface Area

44.037

Acid Dissociation Constant (pKa)

18.62

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

8137-0717 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8137-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0717?
Check Price and Availability of 8137-0717, 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 8137-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0717
  • 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 8137-0717 available by request