S322-0076 Screening compound: ethyl 4-{4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-2-oxopyrrolidin-1-yl}benzoate

S322-0076 Screening compound: ethyl 4-{4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-2-oxopyrrolidin-1-yl}benzoate
S322-0076 Screening compound: ethyl 4-{4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-2-oxopyrrolidin-1-yl}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound S322-0076
ethyl 4-{4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-2-oxopyrrolidin-1-yl}benzoate

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

S322-0076

Molecular Formula

C35H34N4O4 (C35 H34 N4 O4)

Compound Name

ethyl 4-{4-[4,4-bis(1H-indol-3-yl)piperidine-1-carbonyl]-2-oxopyrrolidin-1-yl}benzoate

IUPAC name

ethyl 4-{4-[44-bis(1H-indol-3-yl)piperidine-1-carbonyl]-2-oxopyrrolidin-1-yl}benzoate

SMILES

CCOC(c(cc1)ccc1N(CC(C1)C(N(CC2)CCC2(c2c[nH]c3c2cccc3)c2c[nH]c3c2cccc3)=O)C1=O)=O

InChI

InChI=1S/C35H34N4O4/c1-2-43-34(42)23-11-13-25(14-12-23)39-22-24(19-32(39)40)33(41)38-17-15-35(16-18-38,28-20-36-30-9-5-3-7-26(28)30)29-21-37-31-10-6-4-8-27(29)31/h3-14,20-21,24,36-37H,2,15-19,22H2,1H3/t24-/m1/s1

InChI Key

QUXVLTAXJLFOIQ-XMMPIXPASA-N

MDL Number (MFCD)

MFCD27617999

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.629

Distribution Coefficient, logD

5.629

Water Solubility, LogSw

-5.77

Polar Surface Area

73.589

Acid Dissociation Constant (pKa)

13.27

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.60

S322-0076 in Drug Discovery

Included in Screening Libraries

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

Indole Derivatives (10091 compounds)

Antibacterial Compounds Library (13827 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S322-0076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S322-0076?
Check Price and Availability of S322-0076, 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 S322-0076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S322-0076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S322-0076
  • 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 S322-0076 available by request