E737-1176 Screening compound: 2-{3-benzyl-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-[(4-methylphenyl)methyl]acetamide

E737-1176 Screening compound: 2-{3-benzyl-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-[(4-methylphenyl)methyl]acetamide
E737-1176 Screening compound: 2-{3-benzyl-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-[(4-methylphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-1176
2-{3-benzyl-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-[(4-methylphenyl)methyl]acetamide

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

E737-1176

Molecular Formula

C29H28N4O4 (C29 H28 N4 O4)

Compound Name

2-{3-benzyl-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-[(4-methylphenyl)methyl]acetamide

IUPAC name

2-{3-benzyl-8-methoxy-5-methyl-24-dioxo-1H2H3H4H5H-pyrimido[54-b]indol-1-yl}-N-[(4-methylphenyl)methyl]acetamide

SMILES

Cc1ccc(CNC(CN(c2c(C(N3Cc4ccccc4)=O)n(C)c(cc4)c2cc4OC)C3=O)=O)cc1

InChI

InChI=1S/C29H28N4O4/c1-19-9-11-20(12-10-19)16-30-25(34)18-32-26-23-15-22(37-3)13-14-24(23)31(2)27(26)28(35)33(29(32)36)17-21-7-5-4-6-8-21/h4-15H,16-18H2,1-3H3,(H,30,34)

InChI Key

PXSBCFSDTHNNGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914328

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.491

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.42

Polar Surface Area

66.362

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

E737-1176 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anticancer Library (62698 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E737-1176 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-1176?
Check Price and Availability of E737-1176, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E737-1176 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-1176
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-1176
  • 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 E737-1176 available by request