4106-0048 Screening compound: 1-(9H-carbazol-9-yl)-3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propan-2-ol

4106-0048 Screening compound: 1-(9H-carbazol-9-yl)-3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propan-2-ol
4106-0048 Screening compound: 1-(9H-carbazol-9-yl)-3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound 4106-0048
1-(9H-carbazol-9-yl)-3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-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

4106-0048

Molecular Formula

C32H32ClN3O (C32 H32 ClN3 O)

Compound Name

1-(9H-carbazol-9-yl)-3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propan-2-ol

IUPAC name

1-(9H-carbazol-9-yl)-3-{4-[(4-chlorophenyl)(phenyl)methyl]piperazin-1-yl}propan-2-ol

SMILES

OC(Cn1c(cccc2)c2c2c1cccc2)CN(CC1)CCN1C(c1ccccc1)c(cc1)ccc1Cl

InChI

InChI=1S/C32H32ClN3O/c33-26-16-14-25(15-17-26)32(24-8-2-1-3-9-24)35-20-18-34(19-21-35)22-27(37)23-36-30-12-6-4-10-28(30)29-11-5-7-13-31(29)36/h1-17,27,32,37H,18-23H2

InChI Key

ZBOLDFALAJJQAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02659823

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

510.08

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.947

Distribution Coefficient, logD

6.902

Water Solubility, LogSw

-6.74

Polar Surface Area

24.127

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

6.43

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

4106-0048 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 4106-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4106-0048?
Check Price and Availability of 4106-0048, 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 4106-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4106-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4106-0048
  • 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 4106-0048 available by request