L639-0331 Screening compound: 1-{[6-(4-chlorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}-N~4~-(2-pyridylmethyl)-4-piperidinecarboxamide

L639-0331 Screening compound: 1-{[6-(4-chlorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}-N~4~-(2-pyridylmethyl)-4-piperidinecarboxamide
L639-0331 Screening compound: 1-{[6-(4-chlorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}-N~4~-(2-pyridylmethyl)-4-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L639-0331
1-{[6-(4-chlorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}-N~4~-(2-pyridylmethyl)-4-piperidinecarboxamide

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

L639-0331

Molecular Formula

C26H25ClN4O2S (C26 H25 ClN4 O2 S)

Compound Name

1-{[6-(4-chlorobenzyl)-6H-thieno[2,3-b]pyrrol-5-yl]carbonyl}-N~4~-(2-pyridylmethyl)-4-piperidinecarboxamide

IUPAC name

1-{6-[(4-chlorophenyl)methyl]-6H-thieno[23-b]pyrrole-5-carbonyl}-N-[(pyridin-2-yl)methyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c(n1Cc(cc2)ccc2Cl)cc2c1scc2)=O)NCc1ncccc1

InChI

InChI=1S/C26H25ClN4O2S/c27-21-6-4-18(5-7-21)17-31-23(15-20-10-14-34-26(20)31)25(33)30-12-8-19(9-13-30)24(32)29-16-22-3-1-2-11-28-22/h1-7,10-11,14-15,19H,8-9,12-13,16-17H2,(H,29,32)

InChI Key

RCGRYDODOZBEHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27467022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.03

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.035

Distribution Coefficient, logD

4.035

Water Solubility, LogSw

-4.34

Polar Surface Area

52.151

Acid Dissociation Constant (pKa)

12.37

Base Dissociation Constant (pKb)

3.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.92

L639-0331 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • GPCR
  • Kinases
  • Proteases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L639-0331 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L639-0331?
Check Price and Availability of L639-0331, 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 L639-0331 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L639-0331
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L639-0331
  • 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 L639-0331 available by request