5282-0333 Screening compound: 2-imino-N~3~,8-dimethyl-5-oxo-1-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

5282-0333 Screening compound: 2-imino-N~3~,8-dimethyl-5-oxo-1-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
5282-0333 Screening compound: 2-imino-N~3~,8-dimethyl-5-oxo-1-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5282-0333
2-imino-N~3~,8-dimethyl-5-oxo-1-(3-pyridylmethyl)-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

5282-0333

Molecular Formula

C20H18N6O2 (C20 H18 N6 O2)

Compound Name

2-imino-N~3~,8-dimethyl-5-oxo-1-(3-pyridylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

IUPAC name

6-imino-N13-dimethyl-2-oxo-7-[(pyridin-3-yl)methyl]-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CC(C=CC1=NC(N2Cc3cnccc3)=C3C=C(C(NC)=O)C2=N)=CN1C3=O

InChI

InChI=1S/C20H18N6O2/c1-12-5-6-16-24-18-15(20(28)25(16)10-12)8-14(19(27)22-2)17(21)26(18)11-13-4-3-7-23-9-13/h3-10,21H,11H2,1-2H3,(H,22,27)

InChI Key

OVYBZJLQQISYSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03509714

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.145

Distribution Coefficient, logD

0.076

Water Solubility, LogSw

-0.94

Polar Surface Area

79.141

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

6.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

5282-0333 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 5282-0333 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5282-0333?
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What is the minimum amount of 5282-0333 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5282-0333
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5282-0333
  • 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 5282-0333 available by request