D718-0739F Screening compound: 2-[2-methyl-4-oxo-1-(2-oxo-2-phenylethyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]ethyl cyanide

D718-0739F Screening compound: 2-[2-methyl-4-oxo-1-(2-oxo-2-phenylethyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]ethyl cyanide
D718-0739F Screening compound: 2-[2-methyl-4-oxo-1-(2-oxo-2-phenylethyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]ethyl cyanide alternative view

Chemical Structure Depiction of ChemDiv screening compound D718-0739F
2-[2-methyl-4-oxo-1-(2-oxo-2-phenylethyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]ethyl 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

D718-0739F

Molecular Formula

C22H18N4O2 (C22 H18 N4 O2)

Compound Name

2-[2-methyl-4-oxo-1-(2-oxo-2-phenylethyl)-1,4-dihydropyrimido[1,2-a][1,3]benzimidazol-3-yl]ethyl cyanide

IUPAC name

3-[11-methyl-13-oxo-10-(2-oxo-2-phenylethyl)-1810-triazatricyclo[7.4.0.0^{27}]trideca-2(7)35811-pentaen-12-yl]propanenitrile

SMILES

CC(N(CC(c1ccccc1)=O)c1nc(cccc2)c2n11)=C(CCC#N)C1=O

InChI

InChI=1S/C22H18N4O2/c1-15-17(10-7-13-23)21(28)26-19-12-6-5-11-18(19)24-22(26)25(15)14-20(27)16-8-3-2-4-9-16/h2-6,8-9,11-12H,7,10,14H2,1H3

InChI Key

PQNGUMDVHGOPQD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09430559

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.418

Distribution Coefficient, logD

2.418

Water Solubility, LogSw

-2.46

Polar Surface Area

56.478

Acid Dissociation Constant (pKa)

17.26

Base Dissociation Constant (pKb)

-2.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.18

References: we are preparing a list of scientific research reports with D718-0739F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D718-0739F?
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What is the minimum amount of D718-0739F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D718-0739F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D718-0739F
  • 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 D718-0739F available by request