C651-0699 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C651-0699 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
C651-0699 Screening compound: N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C651-0699
N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-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

C651-0699

Molecular Formula

C17H19N3O6 (C17 H19 N3 O6)

Compound Name

N-(5-methyl-1,2-oxazol-3-yl)-3-(3,4,5-trimethoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

IUPAC name

N-(5-methyl-12-oxazol-3-yl)-3-(345-trimethoxyphenyl)-45-dihydro-12-oxazole-5-carboxamide

SMILES

Cc1cc(NC(C(C2)ON=C2c(cc2OC)cc(OC)c2OC)=O)no1

InChI

InChI=1S/C17H19N3O6/c1-9-5-15(20-25-9)18-17(21)14-8-11(19-26-14)10-6-12(22-2)16(24-4)13(7-10)23-3/h5-7,14H,8H2,1-4H3,(H,18,20,21)/t14-/m0/s1

InChI Key

PUMGHWIWFFPEHP-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD08106512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.35

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.335

Distribution Coefficient, logD

2.230

Water Solubility, LogSw

-2.85

Polar Surface Area

90.696

Acid Dissociation Constant (pKa)

7.96

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

C651-0699 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Nervous system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with C651-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C651-0699?
Check Price and Availability of C651-0699, 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 C651-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C651-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C651-0699
  • 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 C651-0699 available by request