E737-1164 Screening compound: 3-benzyl-8-methoxy-5-methyl-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

E737-1164 Screening compound: 3-benzyl-8-methoxy-5-methyl-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione
E737-1164 Screening compound: 3-benzyl-8-methoxy-5-methyl-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-1164
3-benzyl-8-methoxy-5-methyl-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-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

E737-1164

Molecular Formula

C28H23N5O4 (C28 H23 N5 O4)

Compound Name

3-benzyl-8-methoxy-5-methyl-1-({4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1H,2H,3H,4H,5H-pyrimido[5,4-b]indole-2,4-dione

IUPAC name

3-benzyl-8-methoxy-5-methyl-1-({4-oxo-4H-pyrido[12-a]pyrimidin-2-yl}methyl)-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

Cn(c(cc1)c2cc1OC)c(C(N1Cc3ccccc3)=O)c2N(CC(N=C2N3C=CC=C2)=CC3=O)C1=O

InChI

InChI=1S/C28H23N5O4/c1-30-22-12-11-20(37-2)15-21(22)25-26(30)27(35)33(16-18-8-4-3-5-9-18)28(36)32(25)17-19-14-24(34)31-13-7-6-10-23(31)29-19/h3-15H,16-17H2,1-2H3

InChI Key

HNNWAPCHPRYFQW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914323

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.353

Distribution Coefficient, logD

3.353

Water Solubility, LogSw

-3.71

Polar Surface Area

67.877

Acid Dissociation Constant (pKa)

26.68

Base Dissociation Constant (pKb)

1.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E737-1164 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

PI3K-Targeted Library (17255 compounds)

Purinergic Library (3321 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E737-1164 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-1164?
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What is the minimum amount of E737-1164 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-1164
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-1164
  • 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 E737-1164 available by request