8017-2446 Screening compound: 4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-dipyrido[1,2-a:3,2-e]pyrimidine-2,5(1H)-dione

8017-2446 Screening compound: 4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-dipyrido[1,2-a:3,2-e]pyrimidine-2,5(1H)-dione
8017-2446 Screening compound: 4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-dipyrido[1,2-a:3,2-e]pyrimidine-2,5(1H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-2446
4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-dipyrido[1,2-a:3,2-e]pyrimidine-2,5(1H)-dione

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

8017-2446

Molecular Formula

C19H17N3O3 (C19 H17 N3 O3)

Compound Name

4-(4-methoxyphenyl)-7-methyl-3,4-dihydro-2H-dipyrido[1,2-a:3,2-e]pyrimidine-2,5(1H)-dione

IUPAC name

6-(4-methoxyphenyl)-11-methyl-139-triazatricyclo[8.4.0.0^{27}]tetradeca-2(7)91113-tetraene-48-dione

SMILES

CC(C1=N2)=CC=CN1C(NC(CC1c(cc3)ccc3OC)=O)=C1C2=O

InChI

InChI=1S/C19H17N3O3/c1-11-4-3-9-22-17(11)21-19(24)16-14(10-15(23)20-18(16)22)12-5-7-13(25-2)8-6-12/h3-9,14H,10H2,1-2H3,(H,20,23)/t14-/m0/s1

InChI Key

HNZCBFHGASIYPY-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06015250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

335.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.556

Distribution Coefficient, logD

0.282

Water Solubility, LogSw

-1.92

Polar Surface Area

56.323

Acid Dissociation Constant (pKa)

6.15

Base Dissociation Constant (pKb)

0.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.05

8017-2446 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8017-2446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-2446?
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What is the minimum amount of 8017-2446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-2446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-2446
  • 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 8017-2446 available by request