4618-0293 Screening compound: 1-allyl-N~3~-ethyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide

4618-0293 Screening compound: 1-allyl-N~3~-ethyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxamide
4618-0293 Screening compound: 1-allyl-N~3~-ethyl-2-imino-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 4618-0293
1-allyl-N~3~-ethyl-2-imino-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

4618-0293

Molecular Formula

C17H17N5O2 (C17 H17 N5 O2)

Compound Name

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

IUPAC name

N-ethyl-6-imino-2-oxo-7-(prop-2-en-1-yl)-179-triazatricyclo[8.4.0.0^{38}]tetradeca-3(8)491113-pentaene-5-carboxamide

SMILES

CCNC(C(C(N1CC=C)=N)=CC2=C1N=C(C=CC=C1)N1C2=O)=O

InChI

InChI=1S/C17H17N5O2/c1-3-8-22-14(18)11(16(23)19-4-2)10-12-15(22)20-13-7-5-6-9-21(13)17(12)24/h3,5-7,9-10,18H,1,4,8H2,2H3,(H,19,23)

InChI Key

RDYNRMHUKMIMPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03006929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

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

0.279

Distribution Coefficient, logD

0.260

Water Solubility, LogSw

-0.99

Polar Surface Area

68.830

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 4618-0293 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4618-0293?
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What is the minimum amount of 4618-0293 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4618-0293
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4618-0293
  • 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 4618-0293 available by request