8544-0064 Screening compound: methyl 4,5-dimethoxy-2-(3-phenyl-2,1-benzoxazole-5-amido)benzoate

8544-0064 Screening compound: methyl 4,5-dimethoxy-2-(3-phenyl-2,1-benzoxazole-5-amido)benzoate
8544-0064 Screening compound: methyl 4,5-dimethoxy-2-(3-phenyl-2,1-benzoxazole-5-amido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8544-0064
methyl 4,5-dimethoxy-2-(3-phenyl-2,1-benzoxazole-5-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

8544-0064

Molecular Formula

C24H20N2O6 (C24 H20 N2 O6)

Compound Name

methyl 4,5-dimethoxy-2-(3-phenyl-2,1-benzoxazole-5-amido)benzoate

IUPAC name

methyl 45-dimethoxy-2-(3-phenyl-21-benzoxazole-5-amido)benzoate

SMILES

COC(c(cc(c(OC)c1)OC)c1NC(c1cc2c(-c3ccccc3)onc2cc1)=O)=O

InChI

InChI=1S/C24H20N2O6/c1-29-20-12-17(24(28)31-3)19(13-21(20)30-2)25-23(27)15-9-10-18-16(11-15)22(32-26-18)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,25,27)

InChI Key

POPZUVHAXSYFIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09760320

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.369

Distribution Coefficient, logD

3.059

Water Solubility, LogSw

-4.43

Polar Surface Area

80.550

Acid Dissociation Constant (pKa)

6.11

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

8544-0064 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8544-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8544-0064?
Check Price and Availability of 8544-0064, 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 8544-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8544-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8544-0064
  • 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 8544-0064 available by request