F750-0093 Screening compound: 2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)-1-[4-(2-pyridyl)piperazino]-1-ethanone

F750-0093 Screening compound: 2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)-1-[4-(2-pyridyl)piperazino]-1-ethanone
F750-0093 Screening compound: 2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)-1-[4-(2-pyridyl)piperazino]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F750-0093
2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)-1-[4-(2-pyridyl)piperazino]-1-ethanone

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

F750-0093

Molecular Formula

C21H20N6OS (C21 H20 N6 OS)

Compound Name

2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)-1-[4-(2-pyridyl)piperazino]-1-ethanone

IUPAC name

1-[4-(pyridin-2-yl)piperazin-1-yl]-2-{2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)357911-hexaen-7-ylsulfanyl}ethan-1-one

SMILES

O=C(CSc1nc2ncccc2n2c1ccc2)N(CC1)CCN1c1ncccc1

InChI

InChI=1S/C21H20N6OS/c28-19(26-13-11-25(12-14-26)18-7-1-2-8-22-18)15-29-21-17-6-4-10-27(17)16-5-3-9-23-20(16)24-21/h1-10H,11-15H2

InChI Key

PFWZCTKLBDQMLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965799

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.916

Distribution Coefficient, logD

2.907

Water Solubility, LogSw

-3.02

Polar Surface Area

46.171

Acid Dissociation Constant (pKa)

20.77

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

F750-0093 in Drug Discovery

Included in Screening Libraries

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

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with F750-0093 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F750-0093?
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What is the minimum amount of F750-0093 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F750-0093
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F750-0093
  • 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 F750-0093 available by request