E737-0028 Screening compound: 2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

E737-0028 Screening compound: 2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide
E737-0028 Screening compound: 2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0028
2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)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

E737-0028

Molecular Formula

C26H28N4O4 (C26 H28 N4 O4)

Compound Name

2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

IUPAC name

2-[58-dimethyl-3-(4-methylphenyl)-24-dioxo-1H2H3H4H5H-pyrimido[54-b]indol-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

SMILES

Cc(cc1)ccc1N(C(c(n(C)c1c2cc(C)cc1)c2N1CC(NCC2OCCC2)=O)=O)C1=O

InChI

InChI=1S/C26H28N4O4/c1-16-6-9-18(10-7-16)30-25(32)24-23(20-13-17(2)8-11-21(20)28(24)3)29(26(30)33)15-22(31)27-14-19-5-4-12-34-19/h6-11,13,19H,4-5,12,14-15H2,1-3H3,(H,27,31)/t19-/m1/s1

InChI Key

QDJDWZLGEDMVIW-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14913933

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.655

Distribution Coefficient, logD

2.655

Water Solubility, LogSw

-2.92

Polar Surface Area

66.861

Acid Dissociation Constant (pKa)

14.61

Base Dissociation Constant (pKb)

3.83

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.60

E737-0028 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 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
  • 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 E737-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0028?
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What is the minimum amount of E737-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0028
  • 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 E737-0028 available by request