C181-0847 Screening compound: N-(4-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)oxolane-2-carboxamide

C181-0847 Screening compound: N-(4-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)oxolane-2-carboxamide
C181-0847 Screening compound: N-(4-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)oxolane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C181-0847
N-(4-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)oxolane-2-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

C181-0847

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

N-(4-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)oxolane-2-carboxamide

IUPAC name

N-(4-{[(3-methoxyphenyl)methyl]carbamoyl}phenyl)oxolane-2-carboxamide

SMILES

COc1cccc(CNC(c(cc2)ccc2NC(C2OCCC2)=O)=O)c1

InChI

InChI=1S/C20H22N2O4/c1-25-17-5-2-4-14(12-17)13-21-19(23)15-7-9-16(10-8-15)22-20(24)18-6-3-11-26-18/h2,4-5,7-10,12,18H,3,6,11,13H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1

InChI Key

IHXGCHWJMTVFHL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD14724174

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.108

Distribution Coefficient, logD

2.107

Water Solubility, LogSw

-2.84

Polar Surface Area

63.699

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

C181-0847 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Proline Kinase Library (2105 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Male
  • Female
  • Endocrine
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
  • Proteases

References: we are preparing a list of scientific research reports with C181-0847 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C181-0847?
Check Price and Availability of C181-0847, 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 C181-0847 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C181-0847
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C181-0847
  • 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 C181-0847 available by request