E920-0688 Screening compound: N-[(furan-2-yl)methyl]-5-methyl-N-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

E920-0688 Screening compound: N-[(furan-2-yl)methyl]-5-methyl-N-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
E920-0688 Screening compound: N-[(furan-2-yl)methyl]-5-methyl-N-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E920-0688
N-[(furan-2-yl)methyl]-5-methyl-N-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-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

E920-0688

Molecular Formula

C21H29N3O4 (C21 H29 N3 O4)

Compound Name

N-[(furan-2-yl)methyl]-5-methyl-N-[3-(morpholin-4-yl)propyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-5-methyl-N-[3-(morpholin-4-yl)propyl]-4567-tetrahydro-12-benzoxazole-3-carboxamide

SMILES

CC(CC1)Cc2c1onc2C(N(CCCN1CCOCC1)Cc1ccco1)=O

InChI

InChI=1S/C21H29N3O4/c1-16-5-6-19-18(14-16)20(22-28-19)21(25)24(15-17-4-2-11-27-17)8-3-7-23-9-12-26-13-10-23/h2,4,11,16H,3,5-10,12-15H2,1H3/t16-/m1/s1

InChI Key

AXCMWVYIVSJPKL-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14928245

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.498

Distribution Coefficient, logD

2.297

Water Solubility, LogSw

-2.44

Polar Surface Area

58.196

Acid Dissociation Constant (pKa)

21.17

Base Dissociation Constant (pKb)

7.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

61.90

E920-0688 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E920-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E920-0688?
Check Price and Availability of E920-0688, 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 E920-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E920-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E920-0688
  • 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 E920-0688 available by request