8018-8663 Screening compound: methyl 2-[6-amino-1-(2-methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-3,3,3-trifluoro-2-hydroxypropanoate

8018-8663 Screening compound: methyl 2-[6-amino-1-(2-methoxyphenyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl]-3,3,3-trifluoro-2-hydroxypropanoate
8018-8663 Screening compound: methyl 2-[6-amino-1-(2-methoxyphenyl)-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 8018-8663
methyl 2-[6-amino-1-(2-methoxyphenyl)-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

8018-8663

Molecular Formula

C15H14F3N3O6 (C15 H14 F3 N3 O6)

Compound Name

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

IUPAC name

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

SMILES

COC(C(C(F)(F)F)(C(C(N1)=O)=C(N)N(c(cccc2)c2OC)C1=O)O)=O

InChI

InChI=1S/C15H14F3N3O6/c1-26-8-6-4-3-5-7(8)21-10(19)9(11(22)20-13(21)24)14(25,12(23)27-2)15(16,17)18/h3-6,25H,19H2,1-2H3,(H,20,22,24)/t14-/m1/s1

InChI Key

IDUBLFJPIBNCBG-CQSZACIVSA-N

MDL Number (MFCD)

MFCD08273506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.29

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.559

Distribution Coefficient, logD

0.559

Water Solubility, LogSw

-1.84

Polar Surface Area

104.246

Acid Dissociation Constant (pKa)

11.89

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.70

8018-8663 in Drug Discovery

Included in Screening Libraries

Nucleoside Mimetics Library (2197 compounds)

New Agro Library (44492 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 8018-8663 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8663?
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What is the minimum amount of 8018-8663 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8663
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8663
  • 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 8018-8663 available by request