C181-0779 Screening compound: N~2~-(4-{[(4-methylbenzyl)amino]carbonyl}phenyl)tetrahydro-2-furancarboxamide

C181-0779 Screening compound: N~2~-(4-{[(4-methylbenzyl)amino]carbonyl}phenyl)tetrahydro-2-furancarboxamide
C181-0779 Screening compound: N~2~-(4-{[(4-methylbenzyl)amino]carbonyl}phenyl)tetrahydro-2-furancarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C181-0779
N~2~-(4-{[(4-methylbenzyl)amino]carbonyl}phenyl)tetrahydro-2-furancarboxamide

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

C181-0779

Molecular Formula

C20H22N2O3 (C20 H22 N2 O3)

Compound Name

N~2~-(4-{[(4-methylbenzyl)amino]carbonyl}phenyl)tetrahydro-2-furancarboxamide

IUPAC name

n/a

SMILES

Cc1ccc(CNC(c(cc2)ccc2NC(C2OCCC2)=O)=O)cc1

InChI

InChI=1S/C20H22N2O3/c1-14-4-6-15(7-5-14)13-21-19(23)16-8-10-17(11-9-16)22-20(24)18-3-2-12-25-18/h4-11,18H,2-3,12-13H2,1H3,(H,21,23)(H,22,24)/t18-/m0/s1

InChI Key

RTUKKIFXQMOCSL-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08722615

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.434

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-2.79

Polar Surface Area

56.155

Acid Dissociation Constant (pKa)

10.13

Base Dissociation Constant (pKb)

-0.69

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

7.00

C181-0779 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool

References: we are preparing a list of scientific research reports with C181-0779 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C181-0779?
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What is the minimum amount of C181-0779 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C181-0779
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C181-0779
  • 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 C181-0779 available by request