8124-0594 Screening compound: 2-{1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl}ethan-1-ol

8124-0594 Screening compound: 2-{1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl}ethan-1-ol
8124-0594 Screening compound: 2-{1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl}ethan-1-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 8124-0594
2-{1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl}ethan-1-ol

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

8124-0594

Molecular Formula

C16H26N2O2 (C16 H26 N2 O2)

Compound Name

2-{1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperazin-2-yl}ethan-1-ol

IUPAC name

2-{1-[(4-methoxy-23-dimethylphenyl)methyl]piperazin-2-yl}ethan-1-ol

SMILES

Cc1c(CN2C(CCO)CNCC2)ccc(OC)c1C

InChI

InChI=1S/C16H26N2O2/c1-12-13(2)16(20-3)5-4-14(12)11-18-8-7-17-10-15(18)6-9-19/h4-5,15,17,19H,6-11H2,1-3H3/t15-/m0/s1

InChI Key

SSWVGAQGUIIKGK-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD05666839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

278.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.315

Distribution Coefficient, logD

-0.245

Water Solubility, LogSw

-1.73

Polar Surface Area

39.961

Acid Dissociation Constant (pKa)

15.58

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

62.50

8124-0594 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8124-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8124-0594?
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What is the minimum amount of 8124-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8124-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8124-0594
  • 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 8124-0594 available by request