3729-3012 Screening compound: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide

3729-3012 Screening compound: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide
3729-3012 Screening compound: N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3729-3012
N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-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

3729-3012

Molecular Formula

C26H20N2O2 (C26 H20 N2 O2)

Compound Name

N-[3-(5,6-dimethyl-1,3-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide

IUPAC name

N-[3-(56-dimethyl-13-benzoxazol-2-yl)phenyl]naphthalene-1-carboxamide

SMILES

Cc(c(C)c1)cc2c1oc(-c1cccc(NC(c3cccc4ccccc34)=O)c1)n2

InChI

InChI=1S/C26H20N2O2/c1-16-13-23-24(14-17(16)2)30-26(28-23)19-9-5-10-20(15-19)27-25(29)22-12-6-8-18-7-3-4-11-21(18)22/h3-15H,1-2H3,(H,27,29)

InChI Key

WVTPWTXHFFKHIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01144384

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.511

Distribution Coefficient, logD

6.511

Water Solubility, LogSw

-6.68

Polar Surface Area

39.868

Acid Dissociation Constant (pKa)

14.40

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

3729-3012 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 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

References: we are preparing a list of scientific research reports with 3729-3012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3729-3012?
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What is the minimum amount of 3729-3012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3729-3012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3729-3012
  • 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 3729-3012 available by request