6658-0043 Screening compound: 1-{2,3-diphenyl-1H-benzo[g]indol-1-yl}-3-(2-methylpiperidin-1-yl)propan-2-ol

6658-0043 Screening compound: 1-{2,3-diphenyl-1H-benzo[g]indol-1-yl}-3-(2-methylpiperidin-1-yl)propan-2-ol
6658-0043 Screening compound: 1-{2,3-diphenyl-1H-benzo[g]indol-1-yl}-3-(2-methylpiperidin-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 6658-0043
1-{2,3-diphenyl-1H-benzo[g]indol-1-yl}-3-(2-methylpiperidin-1-yl)propan-2-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

6658-0043

Molecular Formula

C33H34N2O (C33 H34 N2 O)

Compound Name

1-{2,3-diphenyl-1H-benzo[g]indol-1-yl}-3-(2-methylpiperidin-1-yl)propan-2-ol

IUPAC name

1-{23-diphenyl-1H-benzo[g]indol-1-yl}-3-(2-methylpiperidin-1-yl)propan-2-ol

SMILES

CC1N(CC(Cn(c2c3ccc4ccccc24)c(-c2ccccc2)c3-c2ccccc2)O)CCCC1

InChI

InChI=1S/C33H34N2O/c1-24-12-10-11-21-34(24)22-28(36)23-35-32(27-16-6-3-7-17-27)31(26-14-4-2-5-15-26)30-20-19-25-13-8-9-18-29(25)33(30)35/h2-9,13-20,24,28,36H,10-12,21-23H2,1H3

InChI Key

JGADKEHTISWKSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03644439

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

474.65

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.065

Distribution Coefficient, logD

5.487

Water Solubility, LogSw

-6.88

Polar Surface Area

19.504

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

6658-0043 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 6658-0043 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6658-0043?
Check Price and Availability of 6658-0043, 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 6658-0043 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6658-0043
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6658-0043
  • 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 6658-0043 available by request