C651-0681 Screening compound: methyl 2-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-amido]benzoate

C651-0681 Screening compound: methyl 2-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-amido]benzoate
C651-0681 Screening compound: methyl 2-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0681
methyl 2-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-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

C651-0681

Molecular Formula

C21H22N2O7 (C21 H22 N2 O7)

Compound Name

methyl 2-[3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-amido]benzoate

IUPAC name

methyl 2-[3-(345-trimethoxyphenyl)-45-dihydro-12-oxazole-5-amido]benzoate

SMILES

COC(c(cccc1)c1NC(C(C1)ON=C1c(cc1OC)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C21H22N2O7/c1-26-16-9-12(10-17(27-2)19(16)28-3)15-11-18(30-23-15)20(24)22-14-8-6-5-7-13(14)21(25)29-4/h5-10,18H,11H2,1-4H3,(H,22,24)/t18-/m0/s1

InChI Key

SCGIEIZUHLLRBK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08106500

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.849

Distribution Coefficient, logD

2.770

Water Solubility, LogSw

-3.51

Polar Surface Area

89.377

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

-3.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

C651-0681 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C651-0681 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0681?
Check Price and Availability of C651-0681, 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 C651-0681 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0681
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0681
  • 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 C651-0681 available by request