8137-0712 Screening compound: 3-(4-fluorophenyl)-2-methyl-8-[4-(propan-2-yl)phenyl]-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one

8137-0712 Screening compound: 3-(4-fluorophenyl)-2-methyl-8-[4-(propan-2-yl)phenyl]-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one
8137-0712 Screening compound: 3-(4-fluorophenyl)-2-methyl-8-[4-(propan-2-yl)phenyl]-6H,7H,8H,9H-pyrazolo[1,5-a]quinazolin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8137-0712
3-(4-fluorophenyl)-2-methyl-8-[4-(propan-2-yl)phenyl]-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

8137-0712

Molecular Formula

C26H24FN3O (C26 H24 FN3 O)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1ccc(C(Cc(n2nc3C)c4cnc2c3-c(cc2)ccc2F)CC4=O)cc1

InChI

InChI=1S/C26H24FN3O/c1-15(2)17-4-6-18(7-5-17)20-12-23-22(24(31)13-20)14-28-26-25(16(3)29-30(23)26)19-8-10-21(27)11-9-19/h4-11,14-15,20H,12-13H2,1-3H3/t20-/m1/s1

InChI Key

DLVVPFVQBDAVRD-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD06755375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.573

Distribution Coefficient, logD

5.573

Water Solubility, LogSw

-5.59

Polar Surface Area

35.459

Acid Dissociation Constant (pKa)

18.46

Base Dissociation Constant (pKb)

-4.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

8137-0712 in Drug Discovery

Included in Screening Libraries

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8137-0712 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8137-0712?
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What is the minimum amount of 8137-0712 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8137-0712
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8137-0712
  • 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 8137-0712 available by request