P194-0449 Screening compound: 3-(4-fluorobenzyl)-6-(methoxymethyl)-2-(1-pyrrolidinyl)-4(3H)-pyrimidinone

P194-0449 Screening compound: 3-(4-fluorobenzyl)-6-(methoxymethyl)-2-(1-pyrrolidinyl)-4(3H)-pyrimidinone
P194-0449 Screening compound: 3-(4-fluorobenzyl)-6-(methoxymethyl)-2-(1-pyrrolidinyl)-4(3H)-pyrimidinone alternative view

Chemical Structure Depiction of ChemDiv screening compound P194-0449
3-(4-fluorobenzyl)-6-(methoxymethyl)-2-(1-pyrrolidinyl)-4(3H)-pyrimidinone

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

P194-0449

Molecular Formula

C17H20FN3O2 (C17 H20 FN3 O2)

Compound Name

3-(4-fluorobenzyl)-6-(methoxymethyl)-2-(1-pyrrolidinyl)-4(3H)-pyrimidinone

IUPAC name

3-[(4-fluorophenyl)methyl]-6-(methoxymethyl)-2-(pyrrolidin-1-yl)-34-dihydropyrimidin-4-one

SMILES

COCC(N=C(N1CCCC1)N1Cc(cc2)ccc2F)=CC1=O

InChI

InChI=1S/C17H20FN3O2/c1-23-12-15-10-16(22)21(11-13-4-6-14(18)7-5-13)17(19-15)20-8-2-3-9-20/h4-7,10H,2-3,8-9,11-12H2,1H3

InChI Key

MFLGIXRCCITEFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28994873

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.247

Distribution Coefficient, logD

2.247

Water Solubility, LogSw

-2.48

Polar Surface Area

38.353

Acid Dissociation Constant (pKa)

25.87

Base Dissociation Constant (pKb)

0.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with P194-0449 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P194-0449?
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What is the minimum amount of P194-0449 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P194-0449
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P194-0449
  • 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 P194-0449 available by request