C181-0879 Screening compound: N-{4-[(3-ethoxypropyl)carbamoyl]phenyl}oxolane-2-carboxamide

C181-0879 Screening compound: N-{4-[(3-ethoxypropyl)carbamoyl]phenyl}oxolane-2-carboxamide
C181-0879 Screening compound: N-{4-[(3-ethoxypropyl)carbamoyl]phenyl}oxolane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C181-0879
N-{4-[(3-ethoxypropyl)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

C181-0879

Molecular Formula

C17H24N2O4 (C17 H24 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOCCCNC(c(cc1)ccc1NC(C1OCCC1)=O)=O

InChI

InChI=1S/C17H24N2O4/c1-2-22-11-4-10-18-16(20)13-6-8-14(9-7-13)19-17(21)15-5-3-12-23-15/h6-9,15H,2-5,10-12H2,1H3,(H,18,20)(H,19,21)/t15-/m0/s1

InChI Key

ZAVYQWMENZAQSY-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD14724184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.007

Distribution Coefficient, logD

1.006

Water Solubility, LogSw

-2.09

Polar Surface Area

64.245

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.90

C181-0879 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C181-0879 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C181-0879?
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What is the minimum amount of C181-0879 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C181-0879
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C181-0879
  • 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 C181-0879 available by request