5655-0165 Screening compound: 2-imino-1-isopropyl-8-methyl-5-oxo-N~3~-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5655-0165 Screening compound: 2-imino-1-isopropyl-8-methyl-5-oxo-N~3~-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5655-0165 Screening compound: 2-imino-1-isopropyl-8-methyl-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 5655-0165
2-imino-1-isopropyl-8-methyl-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

5655-0165

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

2-imino-1-isopropyl-8-methyl-5-oxo-N~3~-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

6-imino-13-methyl-2-oxo-N-[(oxolan-2-yl)methyl]-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(NCC1OCCC1)=O)=C1)=N)C(N=C2N3C=C(C)C=C2)=C1C3=O

InChI

InChI=1S/C21H25N5O3/c1-12(2)26-18(22)15(20(27)23-10-14-5-4-8-29-14)9-16-19(26)24-17-7-6-13(3)11-25(17)21(16)28/h6-7,9,11-12,14,22H,4-5,8,10H2,1-3H3,(H,23,27)/t14-/m1/s1

InChI Key

IGEGQMRYOQZWLH-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03528958

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

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

0.671

Distribution Coefficient, logD

0.558

Water Solubility, LogSw

-1.39

Polar Surface Area

77.848

Acid Dissociation Constant (pKa)

9.53

Base Dissociation Constant (pKb)

6.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

5655-0165 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Therapeutical Diversity Annotated Library (7563 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 5655-0165 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5655-0165?
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What is the minimum amount of 5655-0165 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5655-0165
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5655-0165
  • 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 5655-0165 available by request