P491-4612 Screening compound: 1-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide

P491-4612 Screening compound: 1-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
P491-4612 Screening compound: 1-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P491-4612
1-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide

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

P491-4612

Molecular Formula

C22H21FN4O5 (C22 H21 FN4 O5)

Compound Name

1-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide

IUPAC name

1-{[(34-dimethoxyphenyl)carbamoyl]methyl}-2-(4-fluorophenyl)-N-methyl-6-oxo-16-dihydropyrimidine-5-carboxamide

SMILES

CNC(C1=CN=C(c(cc2)ccc2F)N(CC(Nc(cc2)cc(OC)c2OC)=O)C1=O)=O

InChI

InChI=1S/C22H21FN4O5/c1-24-21(29)16-11-25-20(13-4-6-14(23)7-5-13)27(22(16)30)12-19(28)26-15-8-9-17(31-2)18(10-15)32-3/h4-11H,12H2,1-3H3,(H,24,29)(H,26,28)

InChI Key

SIJOJTKVQCCVAN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27575909

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.185

Distribution Coefficient, logD

1.184

Water Solubility, LogSw

-2.30

Polar Surface Area

88.584

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

P491-4612 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with P491-4612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P491-4612?
Check Price and Availability of P491-4612, 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 P491-4612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P491-4612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P491-4612
  • 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 P491-4612 available by request