D089-0502 Screening compound: N-cyclohexyl-4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

D089-0502 Screening compound: N-cyclohexyl-4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide
D089-0502 Screening compound: N-cyclohexyl-4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D089-0502
N-cyclohexyl-4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-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

D089-0502

Molecular Formula

C23H33N3O3 (C23 H33 N3 O3)

Compound Name

N-cyclohexyl-4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

IUPAC name

N-cyclohexyl-4-[(4-ethylpiperazin-1-yl)methyl]-5-hydroxy-2-methyl-1-benzofuran-3-carboxamide

SMILES

CCN1CCN(Cc2c3c(C(NC4CCCCC4)=O)c(C)oc3ccc2O)CC1

InChI

InChI=1S/C23H33N3O3/c1-3-25-11-13-26(14-12-25)15-18-19(27)9-10-20-22(18)21(16(2)29-20)23(28)24-17-7-5-4-6-8-17/h9-10,17,27H,3-8,11-15H2,1-2H3,(H,24,28)

InChI Key

VUSFJJKUHZXXCX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08143230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.178

Distribution Coefficient, logD

2.246

Water Solubility, LogSw

-3.42

Polar Surface Area

56.142

Acid Dissociation Constant (pKa)

10.10

Base Dissociation Constant (pKb)

8.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.90

D089-0502 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D089-0502 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D089-0502?
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What is the minimum amount of D089-0502 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D089-0502
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D089-0502
  • 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 D089-0502 available by request