3505-6161 Screening compound: 5-[4-(benzyloxy)phenyl]-1-methyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione

3505-6161 Screening compound: 5-[4-(benzyloxy)phenyl]-1-methyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione
3505-6161 Screening compound: 5-[4-(benzyloxy)phenyl]-1-methyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 3505-6161
5-[4-(benzyloxy)phenyl]-1-methyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione

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

3505-6161

Molecular Formula

C28H21N3O4 (C28 H21 N3 O4)

Compound Name

5-[4-(benzyloxy)phenyl]-1-methyl-5,11-dihydro-1H-indeno[2',1':5,6]pyrido[2,3-d]pyrimidine-2,4,6(3H)-trione

IUPAC name

2-[4-(benzyloxy)phenyl]-7-methyl-579-triazatetracyclo[8.7.0.0^{38}.0^{1116}]heptadeca-1(10)3(8)11(16)1214-pentaene-4617-trione

SMILES

CN(C(NC(c1c2cccc1)=C(C1c(cc3)ccc3OCc3ccccc3)C2=O)=C1C(N1)=O)C1=O

InChI

InChI=1S/C28H21N3O4/c1-31-26-23(27(33)30-28(31)34)21(22-24(29-26)19-9-5-6-10-20(19)25(22)32)17-11-13-18(14-12-17)35-15-16-7-3-2-4-8-16/h2-14,21,29H,15H2,1H3,(H,30,33,34)/t21-/m0/s1

InChI Key

LXMAKPPMOAGGAY-NRFANRHFSA-N

MDL Number (MFCD)

MFCD01975582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.771

Distribution Coefficient, logD

1.786

Water Solubility, LogSw

-4.22

Polar Surface Area

71.652

Acid Dissociation Constant (pKa)

5.42

Base Dissociation Constant (pKb)

-9.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.70

References: we are preparing a list of scientific research reports with 3505-6161 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3505-6161?
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What is the minimum amount of 3505-6161 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3505-6161
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3505-6161
  • 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 3505-6161 available by request