E715-0138 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

E715-0138 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide
E715-0138 Screening compound: 1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E715-0138
1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

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

E715-0138

Molecular Formula

C20H26N8OS (C20 H26 N8 OS)

Compound Name

1-{6H,7H,8H,9H,10H-azepino[2,1-h]purin-4-yl}-N-(5-ethyl-1,3,4-thiadiazol-2-yl)piperidine-3-carboxamide

IUPAC name

1-{6H7H8H9H10H-azepino[21-h]purin-4-yl}-N-(5-ethyl-134-thiadiazol-2-yl)piperidine-3-carboxamide

SMILES

CCc1nnc(NC(C(CCC2)CN2c2ncnc3c2nc2n3CCCCC2)=O)s1

InChI

InChI=1S/C20H26N8OS/c1-2-15-25-26-20(30-15)24-19(29)13-7-6-9-27(11-13)17-16-18(22-12-21-17)28-10-5-3-4-8-14(28)23-16/h12-13H,2-11H2,1H3,(H,24,26,29)/t13-/m0/s1

InChI Key

MVFBCGJKHZMAJA-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD14911450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.865

Distribution Coefficient, logD

2.561

Water Solubility, LogSw

-3.07

Polar Surface Area

83.660

Acid Dissociation Constant (pKa)

7.41

Base Dissociation Constant (pKb)

5.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

E715-0138 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with E715-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E715-0138?
Check Price and Availability of E715-0138, 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 E715-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E715-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E715-0138
  • 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 E715-0138 available by request