M045-0300 Screening compound: 2-[5-cyano-2-(4-fluorophenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide

M045-0300 Screening compound: 2-[5-cyano-2-(4-fluorophenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
M045-0300 Screening compound: 2-[5-cyano-2-(4-fluorophenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound M045-0300
2-[5-cyano-2-(4-fluorophenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)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

M045-0300

Molecular Formula

C21H17FN4O4 (C21 H17 FN4 O4)

Compound Name

2-[5-cyano-2-(4-fluorophenyl)-6-oxo-1,6-dihydropyrimidin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide

IUPAC name

2-[5-cyano-2-(4-fluorophenyl)-6-oxo-16-dihydropyrimidin-1-yl]-N-(35-dimethoxyphenyl)acetamide

SMILES

COc1cc(NC(CN(C(c(cc2)ccc2F)=NC=C2C#N)C2=O)=O)cc(OC)c1

InChI

InChI=1S/C21H17FN4O4/c1-29-17-7-16(8-18(9-17)30-2)25-19(27)12-26-20(13-3-5-15(22)6-4-13)24-11-14(10-23)21(26)28/h3-9,11H,12H2,1-2H3,(H,25,27)

InChI Key

COXMJUBETAXNEC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15139412

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.576

Distribution Coefficient, logD

2.575

Water Solubility, LogSw

-3.03

Polar Surface Area

80.632

Acid Dissociation Constant (pKa)

10.98

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

M045-0300 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 M045-0300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M045-0300?
Check Price and Availability of M045-0300, 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 M045-0300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M045-0300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M045-0300
  • 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 M045-0300 available by request