E737-0075 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-(2,5-dimethylphenyl)acetamide

E737-0075 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-(2,5-dimethylphenyl)acetamide
E737-0075 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-(2,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0075
2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-(2,5-dimethylphenyl)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

E737-0075

Molecular Formula

C29H28N4O3 (C29 H28 N4 O3)

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-(2,5-dimethylphenyl)acetamide

IUPAC name

2-[58-dimethyl-3-(4-methylphenyl)-24-dioxo-1H2H3H4H5H-pyrimido[54-b]indol-1-yl]-N-(25-dimethylphenyl)acetamide

SMILES

Cc(cc1)ccc1N(C(c(n(C)c1c2cc(C)cc1)c2N1CC(Nc2c(C)ccc(C)c2)=O)=O)C1=O

InChI

InChI=1S/C29H28N4O3/c1-17-7-11-21(12-8-17)33-28(35)27-26(22-14-18(2)9-13-24(22)31(27)5)32(29(33)36)16-25(34)30-23-15-19(3)6-10-20(23)4/h6-15H,16H2,1-5H3,(H,30,34)

InChI Key

KNSZXJZQVWADIB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.663

Distribution Coefficient, logD

4.663

Water Solubility, LogSw

-4.27

Polar Surface Area

56.187

Acid Dissociation Constant (pKa)

12.88

Base Dissociation Constant (pKb)

1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

E737-0075 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

DGK Inhibitors Library (10558 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E737-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0075?
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What is the minimum amount of E737-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0075
  • 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 E737-0075 available by request