D062-0813 Screening compound: N-[(furan-2-yl)methyl]-3,6,7-trimethyl-N-[(4-methylphenyl)methyl]-1-benzofuran-2-carboxamide

D062-0813 Screening compound: N-[(furan-2-yl)methyl]-3,6,7-trimethyl-N-[(4-methylphenyl)methyl]-1-benzofuran-2-carboxamide
D062-0813 Screening compound: N-[(furan-2-yl)methyl]-3,6,7-trimethyl-N-[(4-methylphenyl)methyl]-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D062-0813
N-[(furan-2-yl)methyl]-3,6,7-trimethyl-N-[(4-methylphenyl)methyl]-1-benzofuran-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

D062-0813

Molecular Formula

C25H25NO3 (C25 H25 NO3)

Compound Name

N-[(furan-2-yl)methyl]-3,6,7-trimethyl-N-[(4-methylphenyl)methyl]-1-benzofuran-2-carboxamide

IUPAC name

N-[(furan-2-yl)methyl]-367-trimethyl-N-[(4-methylphenyl)methyl]-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(N(Cc2ccco2)Cc2ccc(C)cc2)=O)oc2c1ccc(C)c2C

InChI

InChI=1S/C25H25NO3/c1-16-7-10-20(11-8-16)14-26(15-21-6-5-13-28-21)25(27)24-19(4)22-12-9-17(2)18(3)23(22)29-24/h5-13H,14-15H2,1-4H3

InChI Key

CDPUHBZIBZUPSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06649153

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.178

Distribution Coefficient, logD

6.178

Water Solubility, LogSw

-5.63

Polar Surface Area

32.686

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-3.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

D062-0813 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 D062-0813 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D062-0813?
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What is the minimum amount of D062-0813 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D062-0813
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D062-0813
  • 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 D062-0813 available by request