L230-0033 Screening compound: N-[(4-chlorophenyl)methyl]-1-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxamide

L230-0033 Screening compound: N-[(4-chlorophenyl)methyl]-1-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxamide
L230-0033 Screening compound: N-[(4-chlorophenyl)methyl]-1-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L230-0033
N-[(4-chlorophenyl)methyl]-1-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxamide

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

L230-0033

Molecular Formula

C23H29ClN4O4S (C23 H29 ClN4 O4 S)

Compound Name

N-[(4-chlorophenyl)methyl]-1-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxamide

IUPAC name

N-[(4-chlorophenyl)methyl]-1-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}piperidine-4-carboxamide

SMILES

Cn1c(C(N2CCCC2)=O)cc(S(N(CC2)CCC2C(NCc(cc2)ccc2Cl)=O)(=O)=O)c1

InChI

InChI=1S/C23H29ClN4O4S/c1-26-16-20(14-21(26)23(30)27-10-2-3-11-27)33(31,32)28-12-8-18(9-13-28)22(29)25-15-17-4-6-19(24)7-5-17/h4-7,14,16,18H,2-3,8-13,15H2,1H3,(H,25,29)

InChI Key

AKCDJVWUMIJNTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15120655

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.03

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.023

Distribution Coefficient, logD

2.023

Water Solubility, LogSw

-3.05

Polar Surface Area

75.687

Acid Dissociation Constant (pKa)

12.14

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.80

L230-0033 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PLpro Library (6343 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L230-0033 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L230-0033?
Check Price and Availability of L230-0033, 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 L230-0033 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L230-0033
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L230-0033
  • 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 L230-0033 available by request