5282-0537 Screening compound: N~3~-benzyl-1-ethyl-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-0537 Screening compound: N~3~-benzyl-1-ethyl-2-imino-8-methyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-0537 Screening compound: N~3~-benzyl-1-ethyl-2-imino-8-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 5282-0537
N~3~-benzyl-1-ethyl-2-imino-8-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

5282-0537

Molecular Formula

C22H21N5O2 (C22 H21 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(C(C(C(NCc1ccccc1)=O)=C1)=N)C(N=C2N3C=C(C)C=C2)=C1C3=O

InChI

InChI=1S/C22H21N5O2/c1-3-26-19(23)16(21(28)24-12-15-7-5-4-6-8-15)11-17-20(26)25-18-10-9-14(2)13-27(18)22(17)29/h4-11,13,23H,3,12H2,1-2H3,(H,24,28)

InChI Key

IOWRCTJXBSVWDR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03509888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.44

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

1.758

Distribution Coefficient, logD

1.567

Water Solubility, LogSw

-2.02

Polar Surface Area

69.198

Acid Dissociation Constant (pKa)

8.35

Base Dissociation Constant (pKb)

7.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

5282-0537 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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 5282-0537 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0537?
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What is the minimum amount of 5282-0537 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0537
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0537
  • 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 5282-0537 available by request