5655-0100 Screening compound: 1-(3-hydroxypropyl)-2-imino-5-oxo-N~3~-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5655-0100 Screening compound: 1-(3-hydroxypropyl)-2-imino-5-oxo-N~3~-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5655-0100 Screening compound: 1-(3-hydroxypropyl)-2-imino-5-oxo-N~3~-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5655-0100
1-(3-hydroxypropyl)-2-imino-5-oxo-N~3~-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-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

5655-0100

Molecular Formula

C20H23N5O4 (C20 H23 N5 O4)

Compound Name

1-(3-hydroxypropyl)-2-imino-5-oxo-N~3~-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

7-(3-hydroxypropyl)-6-imino-2-oxo-N-[(oxolan-2-yl)methyl]-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

N=C(C(C(NCC1OCCC1)=O)=C1)N(CCCO)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C20H23N5O4/c21-17-14(19(27)22-12-13-5-3-10-29-13)11-15-18(25(17)8-4-9-26)23-16-6-1-2-7-24(16)20(15)28/h1-2,6-7,11,13,21,26H,3-5,8-10,12H2,(H,22,27)/t13-/m1/s1

InChI Key

YHAIVNPEHNVLGO-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD03528895

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.43

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.816

Distribution Coefficient, logD

-0.839

Water Solubility, LogSw

-0.67

Polar Surface Area

94.242

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

6.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

5655-0100 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Nucleoside Mimetics Library (2197 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5655-0100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5655-0100?
Check Price and Availability of 5655-0100, 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 5655-0100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5655-0100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5655-0100
  • 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 5655-0100 available by request