8018-8745 Screening compound: methyl 2-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,3,3-trifluoro-2-hydroxypropanoate

8018-8745 Screening compound: methyl 2-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,3,3-trifluoro-2-hydroxypropanoate
8018-8745 Screening compound: methyl 2-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,3,3-trifluoro-2-hydroxypropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8745
methyl 2-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,3,3-trifluoro-2-hydroxypropanoate

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

8018-8745

Molecular Formula

C15H14F3N3O5 (C15 H14 F3 N3 O5)

Compound Name

methyl 2-(6-amino-1-benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-3,3,3-trifluoro-2-hydroxypropanoate

IUPAC name

methyl 2-(6-amino-1-benzyl-24-dioxo-1234-tetrahydropyrimidin-5-yl)-333-trifluoro-2-hydroxypropanoate

SMILES

COC(C(C(F)(F)F)(C(C(N1)=O)=C(N)N(Cc2ccccc2)C1=O)O)=O

InChI

InChI=1S/C15H14F3N3O5/c1-26-12(23)14(25,15(16,17)18)9-10(19)21(13(24)20-11(9)22)7-8-5-3-2-4-6-8/h2-6,25H,7,19H2,1H3,(H,20,22,24)/t14-/m1/s1

InChI Key

RTCIFQBAWIGGPG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD08445379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.247

Distribution Coefficient, logD

1.247

Water Solubility, LogSw

-1.94

Polar Surface Area

97.528

Acid Dissociation Constant (pKa)

12.08

Base Dissociation Constant (pKb)

-2.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

8018-8745 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Nucleoside Mimetics Library (2197 compounds)

New Agro Library (44492 compounds)

Opportunistic Pathogens of Immunocompromised Hosts Annotated Library (1773 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Structure:
  • Mimetics
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8018-8745 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8745?
Check Price and Availability of 8018-8745, 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 8018-8745 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8745
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8745
  • 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 8018-8745 available by request