E201-0042 Screening compound: 2-{[4-(4-fluorophenyl)piperazino]carbonyl}-1-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one

E201-0042 Screening compound: 2-{[4-(4-fluorophenyl)piperazino]carbonyl}-1-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one
E201-0042 Screening compound: 2-{[4-(4-fluorophenyl)piperazino]carbonyl}-1-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E201-0042
2-{[4-(4-fluorophenyl)piperazino]carbonyl}-1-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-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

E201-0042

Molecular Formula

C22H20FN5O2 (C22 H20 FN5 O2)

Compound Name

2-{[4-(4-fluorophenyl)piperazino]carbonyl}-1-methylpyrido[1,2-a]pyrrolo[2,3-d]pyrimidin-4(1H)-one

IUPAC name

5-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-168-triazatricyclo[7.4.0.0^{37}]trideca-3(7)481012-pentaen-2-one

SMILES

Cn(c(C(N(CC1)CCN1c(cc1)ccc1F)=O)c1)c(N=C2N3C=CC=C2)c1C3=O

InChI

InChI=1S/C22H20FN5O2/c1-25-18(14-17-20(25)24-19-4-2-3-9-28(19)21(17)29)22(30)27-12-10-26(11-13-27)16-7-5-15(23)6-8-16/h2-9,14H,10-13H2,1H3

InChI Key

MCVVRAWIOJXQES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05894872

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.506

Distribution Coefficient, logD

2.506

Water Solubility, LogSw

-2.82

Polar Surface Area

47.311

Acid Dissociation Constant (pKa)

28.08

Base Dissociation Constant (pKb)

2.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with E201-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E201-0042?
Check Price and Availability of E201-0042, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E201-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E201-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E201-0042
  • 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 E201-0042 available by request