5936-0119 Screening compound: 1-{2,3-diphenyl-1H-benzo[g]indol-1-yl}-3-(4-methylpiperazin-1-yl)propan-2-ol

5936-0119 Screening compound: 1-{2,3-diphenyl-1H-benzo[g]indol-1-yl}-3-(4-methylpiperazin-1-yl)propan-2-ol
5936-0119 Screening compound: 1-{2,3-diphenyl-1H-benzo[g]indol-1-yl}-3-(4-methylpiperazin-1-yl)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 5936-0119
1-{2,3-diphenyl-1H-benzo[g]indol-1-yl}-3-(4-methylpiperazin-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

5936-0119

Molecular Formula

C32H33N3O (C32 H33 N3 O)

Compound Name

1-{2,3-diphenyl-1H-benzo[g]indol-1-yl}-3-(4-methylpiperazin-1-yl)propan-2-ol

IUPAC name

1-{23-diphenyl-1H-benzo[g]indol-1-yl}-3-(4-methylpiperazin-1-yl)propan-2-ol

SMILES

CN1CCN(CC(Cn(c2c3ccc4ccccc24)c(-c2ccccc2)c3-c2ccccc2)O)CC1

InChI

InChI=1S/C32H33N3O/c1-33-18-20-34(21-19-33)22-27(36)23-35-31(26-13-6-3-7-14-26)30(25-11-4-2-5-12-25)29-17-16-24-10-8-9-15-28(24)32(29)35/h2-17,27,36H,18-23H2,1H3/t27-/m1/s1

InChI Key

NBKRBUWBGYONDF-HHHXNRCGSA-N

MDL Number (MFCD)

MFCD03130504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.63

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.767

Distribution Coefficient, logD

4.742

Water Solubility, LogSw

-6.78

Polar Surface Area

23.530

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

8.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

5936-0119 in Drug Discovery

Included in Screening Libraries

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

Cardiovascular Library (22201 compounds)

MCL1 Targeted Library (12200 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5936-0119 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5936-0119?
Check Price and Availability of 5936-0119, 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 5936-0119 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5936-0119
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5936-0119
  • 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 5936-0119 available by request