D089-0241 Screening compound: N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[(pyrrolidin-1-yl)methyl]-1-benzofuran-3-carboxamide

D089-0241 Screening compound: N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[(pyrrolidin-1-yl)methyl]-1-benzofuran-3-carboxamide
D089-0241 Screening compound: N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[(pyrrolidin-1-yl)methyl]-1-benzofuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0241
N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[(pyrrolidin-1-yl)methyl]-1-benzofuran-3-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

D089-0241

Molecular Formula

C22H23ClN2O3 (C22 H23 ClN2 O3)

Compound Name

N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[(pyrrolidin-1-yl)methyl]-1-benzofuran-3-carboxamide

IUPAC name

N-(3-chloro-2-methylphenyl)-5-hydroxy-2-methyl-4-[(pyrrolidin-1-yl)methyl]-1-benzofuran-3-carboxamide

SMILES

Cc1c(C(Nc2cccc(Cl)c2C)=O)c2c(CN3CCCC3)c(O)ccc2o1

InChI

InChI=1S/C22H23ClN2O3/c1-13-16(23)6-5-7-17(13)24-22(27)20-14(2)28-19-9-8-18(26)15(21(19)20)12-25-10-3-4-11-25/h5-9,26H,3-4,10-12H2,1-2H3,(H,24,27)

InChI Key

HYHICOOCSYDHAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143143

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.838

Distribution Coefficient, logD

3.535

Water Solubility, LogSw

-4.50

Polar Surface Area

51.226

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

8.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

D089-0241 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D089-0241 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0241?
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What is the minimum amount of D089-0241 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0241
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0241
  • 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 D089-0241 available by request