C660-0408 Screening compound: N-[3-(morpholin-4-yl)propyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamide

C660-0408 Screening compound: N-[3-(morpholin-4-yl)propyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamide
C660-0408 Screening compound: N-[3-(morpholin-4-yl)propyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C660-0408
N-[3-(morpholin-4-yl)propyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}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

C660-0408

Molecular Formula

C19H28N6O3 (C19 H28 N6 O3)

Compound Name

N-[3-(morpholin-4-yl)propyl]-2-{4-oxo-3H,4H,6H,7H,8H,9H,10H-azepino[2,1-h]purin-3-yl}acetamide

IUPAC name

N-[3-(morpholin-4-yl)propyl]-2-{4-oxo-3H4H6H7H8H9H10H-azepino[21-h]purin-3-yl}acetamide

SMILES

O=C(CN(C=Nc1c2nc3n1CCCCC3)C2=O)NCCCN1CCOCC1

InChI

InChI=1S/C19H28N6O3/c26-16(20-6-4-7-23-9-11-28-12-10-23)13-24-14-21-18-17(19(24)27)22-15-5-2-1-3-8-25(15)18/h14H,1-13H2,(H,20,26)

InChI Key

QEQPIIIWIFZSAV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14780092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.402

Distribution Coefficient, logD

-0.825

Water Solubility, LogSw

-0.87

Polar Surface Area

75.332

Acid Dissociation Constant (pKa)

15.91

Base Dissociation Constant (pKb)

7.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.40

C660-0408 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Nucleoside Mimetics Library (2197 compounds)

Purine Based Nucleoside Mimetics Library (1131 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Antiviral
  • Infections
  • Cancer
  • Immune system
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C660-0408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C660-0408?
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What is the minimum amount of C660-0408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C660-0408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C660-0408
  • 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 C660-0408 available by request