G861-0143 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[(2-fluorophenyl)methyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

G861-0143 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[(2-fluorophenyl)methyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one
G861-0143 Screening compound: 2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[(2-fluorophenyl)methyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G861-0143
2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[(2-fluorophenyl)methyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-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

G861-0143

Molecular Formula

C25H25FN6O3 (C25 H25 FN6 O3)

Compound Name

2-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[(2-fluorophenyl)methyl]-8,9-dimethoxy-5H,6H-[1,2,4]triazolo[1,5-c]quinazolin-5-one

IUPAC name

2-[2-(35-dimethyl-1H-pyrazol-1-yl)ethyl]-6-[(2-fluorophenyl)methyl]-89-dimethoxy-5H6H-[124]triazolo[15-c]quinazolin-5-one

SMILES

Cc1cc(C)nn1CCc(nc1-c(cc(c(OC)c2)OC)c2N2Cc(cccc3)c3F)nn1C2=O

InChI

InChI=1S/C25H25FN6O3/c1-15-11-16(2)31(28-15)10-9-23-27-24-18-12-21(34-3)22(35-4)13-20(18)30(25(33)32(24)29-23)14-17-7-5-6-8-19(17)26/h5-8,11-13H,9-10,14H2,1-4H3

InChI Key

KNKDHTSVFMMJFF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27164968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.421

Water Solubility, LogSw

-3.73

Polar Surface Area

69.332

Acid Dissociation Constant (pKa)

25.16

Base Dissociation Constant (pKb)

4.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

G861-0143 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with G861-0143 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G861-0143?
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What is the minimum amount of G861-0143 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G861-0143
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G861-0143
  • 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 G861-0143 available by request