G706-0780 Screening compound: methyl 2-(2-benzyl-1,3-benzoxazole-6-amido)benzoate

G706-0780 Screening compound: methyl 2-(2-benzyl-1,3-benzoxazole-6-amido)benzoate
G706-0780 Screening compound: methyl 2-(2-benzyl-1,3-benzoxazole-6-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound G706-0780
methyl 2-(2-benzyl-1,3-benzoxazole-6-amido)benzoate

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

G706-0780

Molecular Formula

C23H18N2O4 (C23 H18 N2 O4)

Compound Name

methyl 2-(2-benzyl-1,3-benzoxazole-6-amido)benzoate

IUPAC name

methyl 2-(2-benzyl-13-benzoxazole-6-amido)benzoate

SMILES

COC(c(cccc1)c1NC(c(cc1)cc2c1nc(Cc1ccccc1)o2)=O)=O

InChI

InChI=1S/C23H18N2O4/c1-28-23(27)17-9-5-6-10-18(17)25-22(26)16-11-12-19-20(14-16)29-21(24-19)13-15-7-3-2-4-8-15/h2-12,14H,13H2,1H3,(H,25,26)

InChI Key

UKUGKLCGSVFQHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27152332

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.707

Distribution Coefficient, logD

4.491

Water Solubility, LogSw

-4.56

Polar Surface Area

60.282

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

G706-0780 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with G706-0780 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G706-0780?
Check Price and Availability of G706-0780, 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 G706-0780 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G706-0780
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G706-0780
  • 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 G706-0780 available by request