E714-0140 Screening compound: ethyl 4-(2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamido)benzoate

E714-0140 Screening compound: ethyl 4-(2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamido)benzoate
E714-0140 Screening compound: ethyl 4-(2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E714-0140
ethyl 4-(2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamido)benzoate

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

E714-0140

Molecular Formula

C21H23N5O4 (C21 H23 N5 O4)

Compound Name

ethyl 4-(2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{4-oxo-3H4H6H7H8H9H10H-azepino[21-h]purin-3-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C=Nc1c2nc3n1CCCCC3)C2=O)=O)=O

InChI

InChI=1S/C21H23N5O4/c1-2-30-21(29)14-7-9-15(10-8-14)23-17(27)12-25-13-22-19-18(20(25)28)24-16-6-4-3-5-11-26(16)19/h7-10,13H,2-6,11-12H2,1H3,(H,23,27)

InChI Key

USMQXROJBWKLOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601189

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.44

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.585

Distribution Coefficient, logD

2.584

Water Solubility, LogSw

-2.94

Polar Surface Area

83.031

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

4.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

E714-0140 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nucleoside Mimetics Library (2197 compounds)

Protein-Protein Interaction Library (218420 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
Structure:
  • Mimetics
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with E714-0140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E714-0140?
Check Price and Availability of E714-0140, 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 E714-0140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E714-0140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E714-0140
  • 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 E714-0140 available by request