G706-1809 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-carboxamide

G706-1809 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-carboxamide
G706-1809 Screening compound: N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G706-1809
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-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

G706-1809

Molecular Formula

C18H25N3O2 (C18 H25 N3 O2)

Compound Name

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-carboxamide

IUPAC name

N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(propan-2-yl)-13-benzoxazole-6-carboxamide

SMILES

CCN1C(CNC(c(cc2)cc3c2nc(C(C)C)o3)=O)CCC1

InChI

InChI=1S/C18H25N3O2/c1-4-21-9-5-6-14(21)11-19-17(22)13-7-8-15-16(10-13)23-18(20-15)12(2)3/h7-8,10,12,14H,4-6,9,11H2,1-3H3,(H,19,22)/t14-/m1/s1

InChI Key

JXAYGVILIZAOCB-CQSZACIVSA-N

MDL Number (MFCD)

MFCD27152631

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.903

Distribution Coefficient, logD

2.363

Water Solubility, LogSw

-3.26

Polar Surface Area

45.640

Acid Dissociation Constant (pKa)

12.51

Base Dissociation Constant (pKb)

7.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

G706-1809 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with G706-1809 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G706-1809?
Check Price and Availability of G706-1809, 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 G706-1809 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G706-1809
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G706-1809
  • 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 G706-1809 available by request