F039-0049 Screening compound: ethyl 3-{[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbamoyl]amino}-3-phenylpropanoate

F039-0049 Screening compound: ethyl 3-{[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbamoyl]amino}-3-phenylpropanoate
F039-0049 Screening compound: ethyl 3-{[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbamoyl]amino}-3-phenylpropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F039-0049
ethyl 3-{[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbamoyl]amino}-3-phenylpropanoate

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

F039-0049

Molecular Formula

C16H18N4O5 (C16 H18 N4 O5)

Compound Name

ethyl 3-{[(2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)carbamoyl]amino}-3-phenylpropanoate

IUPAC name

ethyl 3-{[(24-dioxo-1234-tetrahydropyrimidin-5-yl)carbamoyl]amino}-3-phenylpropanoate

SMILES

CCOC(CC(c1ccccc1)NC(NC(C(N1)=O)=CNC1=O)=O)=O

InChI

InChI=1S/C16H18N4O5/c1-2-25-13(21)8-11(10-6-4-3-5-7-10)18-16(24)19-12-9-17-15(23)20-14(12)22/h3-7,9,11H,2,8H2,1H3,(H2,18,19,24)(H2,17,20,22,23)/t11-/m0/s1

InChI Key

WJRREJZZGJTAPN-NSHDSACASA-N

MDL Number (MFCD)

MFCD14938031

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.34

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.341

Distribution Coefficient, logD

-0.461

Water Solubility, LogSw

-1.88

Polar Surface Area

103.388

Acid Dissociation Constant (pKa)

6.67

Base Dissociation Constant (pKb)

-5.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

F039-0049 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with F039-0049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F039-0049?
Check Price and Availability of F039-0049, 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 F039-0049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F039-0049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F039-0049
  • 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 F039-0049 available by request