E737-1195 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-phenylacetamide

E737-1195 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-phenylacetamide
E737-1195 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-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-1195
2-{3-benzyl-8-methoxy-5-methyl-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl}-N-phenylacetamide

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

E737-1195

Molecular Formula

C27H24N4O4 (C27 H24 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-phenylacetamide

IUPAC name

2-{3-benzyl-8-methoxy-5-methyl-24-dioxo-1H2H3H4H5H-pyrimido[54-b]indol-1-yl}-N-phenylacetamide

SMILES

Cn(c(cc1)c2cc1OC)c(C(N1Cc3ccccc3)=O)c2N(CC(Nc2ccccc2)=O)C1=O

InChI

InChI=1S/C27H24N4O4/c1-29-22-14-13-20(35-2)15-21(22)24-25(29)26(33)31(16-18-9-5-3-6-10-18)27(34)30(24)17-23(32)28-19-11-7-4-8-12-19/h3-15H,16-17H2,1-2H3,(H,28,32)

InChI Key

WJYMTZYYHHQXPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14914338

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.298

Distribution Coefficient, logD

4.298

Water Solubility, LogSw

-4.39

Polar Surface Area

65.040

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.80

E737-1195 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Ion Channels
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E737-1195 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-1195?
Check Price and Availability of E737-1195, 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 E737-1195 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-1195
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-1195
  • 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 E737-1195 available by request