F832-1048 Screening compound: N~1~-[1-(3,4-dimethoxyphenyl)ethyl]-3-[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]propanamide

F832-1048 Screening compound: N~1~-[1-(3,4-dimethoxyphenyl)ethyl]-3-[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]propanamide
F832-1048 Screening compound: N~1~-[1-(3,4-dimethoxyphenyl)ethyl]-3-[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F832-1048
N~1~-[1-(3,4-dimethoxyphenyl)ethyl]-3-[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]propanamide

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

F832-1048

Molecular Formula

C26H25FN6O3 (C26 H25 FN6 O3)

Compound Name

N~1~-[1-(3,4-dimethoxyphenyl)ethyl]-3-[9-(4-fluorophenyl)pyrazolo[1,5-a][1,2,4]triazolo[3,4-c]pyrazin-3-yl]propanamide

IUPAC name

N-[1-(34-dimethoxyphenyl)ethyl]-3-[11-(4-fluorophenyl)-346910-pentaazatricyclo[7.3.0.0^{26}]dodeca-1(12)24710-pentaen-5-yl]propanamide

SMILES

CC(c(cc1)cc(OC)c1OC)NC(CCc1nnc(c2c3)n1ccn2nc3-c(cc1)ccc1F)=O

InChI

InChI=1S/C26H25FN6O3/c1-16(18-6-9-22(35-2)23(14-18)36-3)28-25(34)11-10-24-29-30-26-21-15-20(17-4-7-19(27)8-5-17)31-33(21)13-12-32(24)26/h4-9,12-16H,10-11H2,1-3H3,(H,28,34)/t16-/m0/s1

InChI Key

ZLTVINOYGJODHF-INIZCTEOSA-N

MDL Number (MFCD)

MFCD27197402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.441

Distribution Coefficient, logD

2.408

Water Solubility, LogSw

-2.94

Polar Surface Area

72.598

Acid Dissociation Constant (pKa)

14.35

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.10

F832-1048 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F832-1048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F832-1048?
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What is the minimum amount of F832-1048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F832-1048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F832-1048
  • 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 F832-1048 available by request