G706-1390 Screening compound: 2-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]-1,3-benzoxazole-6-carboxamide

G706-1390 Screening compound: 2-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]-1,3-benzoxazole-6-carboxamide
G706-1390 Screening compound: 2-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]-1,3-benzoxazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G706-1390
2-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]-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

G706-1390

Molecular Formula

C22H19N3O2 (C22 H19 N3 O2)

Compound Name

2-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]-1,3-benzoxazole-6-carboxamide

IUPAC name

2-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]-13-benzoxazole-6-carboxamide

SMILES

O=C(c(cc1)cc2c1nc(CCc1ccccc1)o2)NCc1cnccc1

InChI

InChI=1S/C22H19N3O2/c26-22(24-15-17-7-4-12-23-14-17)18-9-10-19-20(13-18)27-21(25-19)11-8-16-5-2-1-3-6-16/h1-7,9-10,12-14H,8,11,15H2,(H,24,26)

InChI Key

XHFXOVMAUXTVIA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27152457

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.843

Distribution Coefficient, logD

3.843

Water Solubility, LogSw

-4.04

Polar Surface Area

50.646

Acid Dissociation Constant (pKa)

12.78

Base Dissociation Constant (pKb)

3.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

G706-1390 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with G706-1390 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G706-1390?
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What is the minimum amount of G706-1390 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G706-1390
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G706-1390
  • 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 G706-1390 available by request