6228-2531 Screening compound: 2-{4-[(4-tert-butylphenoxy)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

6228-2531 Screening compound: 2-{4-[(4-tert-butylphenoxy)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline
6228-2531 Screening compound: 2-{4-[(4-tert-butylphenoxy)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6228-2531
2-{4-[(4-tert-butylphenoxy)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

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

6228-2531

Molecular Formula

C27H29NO2 (C27 H29 NO2)

Compound Name

2-{4-[(4-tert-butylphenoxy)methyl]benzoyl}-1,2,3,4-tetrahydroisoquinoline

IUPAC name

2-{4-[(4-tert-butylphenoxy)methyl]benzoyl}-1234-tetrahydroisoquinoline

SMILES

CC(C)(C)c(cc1)ccc1OCc(cc1)ccc1C(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C27H29NO2/c1-27(2,3)24-12-14-25(15-13-24)30-19-20-8-10-22(11-9-20)26(29)28-17-16-21-6-4-5-7-23(21)18-28/h4-15H,16-19H2,1-3H3

InChI Key

XLDYEDNTHZYNHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02605648

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.53

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.180

Distribution Coefficient, logD

6.180

Water Solubility, LogSw

-5.62

Polar Surface Area

23.776

Acid Dissociation Constant (pKa)

25.26

Base Dissociation Constant (pKb)

-4.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

6228-2531 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 6228-2531 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6228-2531?
Check Price and Availability of 6228-2531, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6228-2531 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6228-2531
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6228-2531
  • 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 6228-2531 available by request