L230-0639 Screening compound: 1-{[1-methyl-5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

L230-0639 Screening compound: 1-{[1-methyl-5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide
L230-0639 Screening compound: 1-{[1-methyl-5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L230-0639
1-{[1-methyl-5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(2-methylphenyl)methyl]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

L230-0639

Molecular Formula

C25H34N4O4S (C25 H34 N4 O4 S)

Compound Name

1-{[1-methyl-5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

IUPAC name

1-{[1-methyl-5-(piperidine-1-carbonyl)-1H-pyrrol-3-yl]sulfonyl}-N-[(2-methylphenyl)methyl]piperidine-4-carboxamide

SMILES

Cc1c(CNC(C(CC2)CCN2S(c2cn(C)c(C(N3CCCCC3)=O)c2)(=O)=O)=O)cccc1

InChI

InChI=1S/C25H34N4O4S/c1-19-8-4-5-9-21(19)17-26-24(30)20-10-14-29(15-11-20)34(32,33)22-16-23(27(2)18-22)25(31)28-12-6-3-7-13-28/h4-5,8-9,16,18,20H,3,6-7,10-15,17H2,1-2H3,(H,26,30)

InChI Key

LTFWRDRLZNLAPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27237112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.64

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

2.603

Distribution Coefficient, logD

2.603

Water Solubility, LogSw

-2.85

Polar Surface Area

75.321

Acid Dissociation Constant (pKa)

11.86

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.00

L230-0639 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with L230-0639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L230-0639?
Check Price and Availability of L230-0639, 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 L230-0639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L230-0639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L230-0639
  • 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 L230-0639 available by request