F750-0042 Screening compound: N~1~-(4-methoxybenzyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)acetamide

F750-0042 Screening compound: N~1~-(4-methoxybenzyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)acetamide
F750-0042 Screening compound: N~1~-(4-methoxybenzyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F750-0042
N~1~-(4-methoxybenzyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)acetamide

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

F750-0042

Molecular Formula

C20H18N4O2S (C20 H18 N4 O2 S)

Compound Name

N~1~-(4-methoxybenzyl)-2-(pyrido[2,3-e]pyrrolo[1,2-a]pyrazin-6-ylsulfanyl)acetamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-2-{2810-triazatricyclo[7.4.0.0^{26}]trideca-1(13)357911-hexaen-7-ylsulfanyl}acetamide

SMILES

COc1ccc(CNC(CSc2nc3ncccc3n3c2ccc3)=O)cc1

InChI

InChI=1S/C20H18N4O2S/c1-26-15-8-6-14(7-9-15)12-22-18(25)13-27-20-17-5-3-11-24(17)16-4-2-10-21-19(16)23-20/h2-11H,12-13H2,1H3,(H,22,25)

InChI Key

KREKLDBICSMZST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14965785

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

378.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.014

Distribution Coefficient, logD

3.008

Water Solubility, LogSw

-3.22

Polar Surface Area

50.022

Acid Dissociation Constant (pKa)

14.24

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

References: we are preparing a list of scientific research reports with F750-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F750-0042?
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What is the minimum amount of F750-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F750-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F750-0042
  • 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 F750-0042 available by request