5282-0627 Screening compound: N~3~-cyclopentyl-2-imino-8-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-0627 Screening compound: N~3~-cyclopentyl-2-imino-8-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-0627 Screening compound: N~3~-cyclopentyl-2-imino-8-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5282-0627
N~3~-cyclopentyl-2-imino-8-methyl-5-oxo-1-propyl-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

5282-0627

Molecular Formula

C21H25N5O2 (C21 H25 N5 O2)

Compound Name

N~3~-cyclopentyl-2-imino-8-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

N-cyclopentyl-6-imino-13-methyl-2-oxo-7-propyl-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CCCN(C(C(C(NC1CCCC1)=O)=C1)=N)C(N=C2N3C=C(C)C=C2)=C1C3=O

InChI

InChI=1S/C21H25N5O2/c1-3-10-25-18(22)15(20(27)23-14-6-4-5-7-14)11-16-19(25)24-17-9-8-13(2)12-26(17)21(16)28/h8-9,11-12,14,22H,3-7,10H2,1-2H3,(H,23,27)

InChI Key

OPNJQCPNEBZGJD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03509960

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.405

Distribution Coefficient, logD

2.323

Water Solubility, LogSw

-2.42

Polar Surface Area

69.543

Acid Dissociation Constant (pKa)

11.48

Base Dissociation Constant (pKb)

6.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

References: we are preparing a list of scientific research reports with 5282-0627 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0627?
Check Price and Availability of 5282-0627, 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 5282-0627 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0627
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0627
  • 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 5282-0627 available by request