G706-2028 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide

G706-2028 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide
G706-2028 Screening compound: N-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound G706-2028
N-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenyl)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

G706-2028

Molecular Formula

C23H19ClN2O3 (C23 H19 ClN2 O3)

Compound Name

N-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-1,3-benzoxazole-6-carboxamide

IUPAC name

N-[(2-chlorophenyl)methyl]-2-[(4-methoxyphenyl)methyl]-13-benzoxazole-6-carboxamide

SMILES

COc1ccc(Cc2nc(ccc(C(NCc(cccc3)c3Cl)=O)c3)c3o2)cc1

InChI

InChI=1S/C23H19ClN2O3/c1-28-18-9-6-15(7-10-18)12-22-26-20-11-8-16(13-21(20)29-22)23(27)25-14-17-4-2-3-5-19(17)24/h2-11,13H,12,14H2,1H3,(H,25,27)

InChI Key

BZHSZPHOLYOWOW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27152700

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.87

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

5.215

Distribution Coefficient, logD

5.215

Water Solubility, LogSw

-5.82

Polar Surface Area

48.671

Acid Dissociation Constant (pKa)

11.98

Base Dissociation Constant (pKb)

-3.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

G706-2028 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Selective Target Activity Profiling Library (14702 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

References: we are preparing a list of scientific research reports with G706-2028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G706-2028?
Check Price and Availability of G706-2028, 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 G706-2028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G706-2028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G706-2028
  • 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 G706-2028 available by request