5655-0155 Screening compound: N~3~-(2-furylmethyl)-2-imino-1-isopropyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5655-0155 Screening compound: N~3~-(2-furylmethyl)-2-imino-1-isopropyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5655-0155 Screening compound: N~3~-(2-furylmethyl)-2-imino-1-isopropyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5655-0155
N~3~-(2-furylmethyl)-2-imino-1-isopropyl-10-methyl-5-oxo-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

5655-0155

Molecular Formula

C21H21N5O3 (C21 H21 N5 O3)

Compound Name

N~3~-(2-furylmethyl)-2-imino-1-isopropyl-10-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-6-imino-11-methyl-2-oxo-7-(propan-2-yl)-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CC(C)N(C(C(C(NCc1ccco1)=O)=C1)=N)C(N=C2N3C=CC=C2C)=C1C3=O

InChI

InChI=1S/C21H21N5O3/c1-12(2)26-17(22)15(20(27)23-11-14-7-5-9-29-14)10-16-19(26)24-18-13(3)6-4-8-25(18)21(16)28/h4-10,12,22H,11H2,1-3H3,(H,23,27)

InChI Key

NRMZLSBAVOBHAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03528948

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.837

Distribution Coefficient, logD

1.727

Water Solubility, LogSw

-1.96

Polar Surface Area

75.444

Acid Dissociation Constant (pKa)

8.17

Base Dissociation Constant (pKb)

6.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

5655-0155 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

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

Human Proteases Annotated Library (2868 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5655-0155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5655-0155?
Check Price and Availability of 5655-0155, 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 5655-0155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5655-0155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5655-0155
  • 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 5655-0155 available by request