E737-0167 Screening compound: 5,8-dimethyl-3-(3-methylphenyl)-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione

E737-0167 Screening compound: 5,8-dimethyl-3-(3-methylphenyl)-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
E737-0167 Screening compound: 5,8-dimethyl-3-(3-methylphenyl)-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0167
5,8-dimethyl-3-(3-methylphenyl)-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-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

E737-0167

Molecular Formula

C25H26N4O3 (C25 H26 N4 O3)

Compound Name

5,8-dimethyl-3-(3-methylphenyl)-1-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione

IUPAC name

58-dimethyl-3-(3-methylphenyl)-1-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1H2H3H4H5H-pyrimido[54-b]indole-24-dione

SMILES

Cc(cc1)cc2c1n(C)c(C(N1c3cc(C)ccc3)=O)c2N(CC(N2CCCC2)=O)C1=O

InChI

InChI=1S/C25H26N4O3/c1-16-7-6-8-18(13-16)29-24(31)23-22(19-14-17(2)9-10-20(19)26(23)3)28(25(29)32)15-21(30)27-11-4-5-12-27/h6-10,13-14H,4-5,11-12,15H2,1-3H3

InChI Key

UUGAYVSXXNWOGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.406

Distribution Coefficient, logD

3.406

Water Solubility, LogSw

-3.61

Polar Surface Area

50.494

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

E737-0167 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral Annotated Library (21441 compounds)

DGK Inhibitors Library (10558 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:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E737-0167 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0167?
Check Price and Availability of E737-0167, 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 E737-0167 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0167
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0167
  • 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 E737-0167 available by request