4618-0295 Screening compound: 1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

4618-0295 Screening compound: 1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide
4618-0295 Screening compound: 1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4618-0295
1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

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

4618-0295

Molecular Formula

C19H13N5O (C19 H13 N5 O)

Compound Name

1-benzyl-2-imino-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidin-3-yl cyanide

IUPAC name

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

SMILES

N=C(C(C#N)=C1)N(Cc2ccccc2)C(N=C2N3C=CC=C2)=C1C3=O

InChI

InChI=1S/C19H13N5O/c20-11-14-10-15-18(22-16-8-4-5-9-23(16)19(15)25)24(17(14)21)12-13-6-2-1-3-7-13/h1-10,21H,12H2

InChI Key

ATRCOXJEJQSVCM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02673362

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.940

Distribution Coefficient, logD

-2.027

Water Solubility, LogSw

-2.31

Polar Surface Area

61.325

Acid Dissociation Constant (pKa)

33.56

Base Dissociation Constant (pKb)

11.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

References: we are preparing a list of scientific research reports with 4618-0295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4618-0295?
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What is the minimum amount of 4618-0295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4618-0295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4618-0295
  • 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 4618-0295 available by request