E737-0069 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-(3,5-dimethylphenyl)acetamide

E737-0069 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-(3,5-dimethylphenyl)acetamide
E737-0069 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-(3,5-dimethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E737-0069
2-[5,8-dimethyl-3-(4-methylphenyl)-2,4-dioxo-1H,2H,3H,4H,5H-pyrimido[5,4-b]indol-1-yl]-N-(3,5-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

E737-0069

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-(3,5-dimethylphenyl)acetamide

IUPAC name

2-[58-dimethyl-3-(4-methylphenyl)-24-dioxo-1H2H3H4H5H-pyrimido[54-b]indol-1-yl]-N-(35-dimethylphenyl)acetamide

SMILES

Cc(cc1)ccc1N(C(c(n(C)c1c2cc(C)cc1)c2N1CC(Nc2cc(C)cc(C)c2)=O)=O)C1=O

InChI

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

InChI Key

OXKCNWNVLWQXBN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14913951

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

5.315

Distribution Coefficient, logD

5.315

Water Solubility, LogSw

-5.29

Polar Surface Area

56.885

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

3.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.70

E737-0069 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

DGK Inhibitors Library (10558 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E737-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E737-0069?
Check Price and Availability of E737-0069, 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 E737-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E737-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E737-0069
  • 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 E737-0069 available by request