G706-2004 Screening compound: N-[(4-ethylphenyl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-carboxamide

G706-2004 Screening compound: N-[(4-ethylphenyl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-carboxamide
G706-2004 Screening compound: N-[(4-ethylphenyl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G706-2004
N-[(4-ethylphenyl)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

G706-2004

Molecular Formula

C20H22N2O2 (C20 H22 N2 O2)

Compound Name

N-[(4-ethylphenyl)methyl]-2-(propan-2-yl)-1,3-benzoxazole-6-carboxamide

IUPAC name

N-[(4-ethylphenyl)methyl]-2-(propan-2-yl)-13-benzoxazole-6-carboxamide

SMILES

CCc1ccc(CNC(c(cc2)cc3c2nc(C(C)C)o3)=O)cc1

InChI

InChI=1S/C20H22N2O2/c1-4-14-5-7-15(8-6-14)12-21-19(23)16-9-10-17-18(11-16)24-20(22-17)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,23)

InChI Key

XFYPJHCQKZWGRG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27152697

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.838

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.53

Polar Surface Area

41.734

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

G706-2004 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Aging Library (44940 compounds)

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cardiovascular
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with G706-2004 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G706-2004?
Check Price and Availability of G706-2004, 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 G706-2004 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G706-2004
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G706-2004
  • 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 G706-2004 available by request