L639-0067 Screening compound: N-(2,4-DIMETHYLPHENYL)-1-(6H-THIENO[2,3-B]PYRROL-5-YLCARBONYL)-4-PIPERIDINECARBOXAMIDE

L639-0067 Screening compound: N-(2,4-DIMETHYLPHENYL)-1-(6H-THIENO[2,3-B]PYRROL-5-YLCARBONYL)-4-PIPERIDINECARBOXAMIDE
L639-0067 Screening compound: N-(2,4-DIMETHYLPHENYL)-1-(6H-THIENO[2,3-B]PYRROL-5-YLCARBONYL)-4-PIPERIDINECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound L639-0067
N-(2,4-DIMETHYLPHENYL)-1-(6H-THIENO[2,3-B]PYRROL-5-YLCARBONYL)-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

L639-0067

Molecular Formula

C21H23N3O2S (C21 H23 N3 O2 S)

Compound Name

N-(2,4-DIMETHYLPHENYL)-1-(6H-THIENO[2,3-B]PYRROL-5-YLCARBONYL)-4-PIPERIDINECARBOXAMIDE

IUPAC name

n/a

SMILES

Cc(cc1)cc(C)c1NC(C(CC1)CCN1C(c([nH]1)cc2c1scc2)=O)=O

InChI

InChI=1S/C21H23N3O2S/c1-13-3-4-17(14(2)11-13)22-19(25)15-5-8-24(9-6-15)21(26)18-12-16-7-10-27-20(16)23-18/h3-4,7,10-12,15,23H,5-6,8-9H2,1-2H3,(H,22,25)

InChI Key

MSWJOGPCMRHUHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15132540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.780

Distribution Coefficient, logD

3.780

Water Solubility, LogSw

-3.80

Polar Surface Area

50.019

Acid Dissociation Constant (pKa)

11.72

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L639-0067 in Drug Discovery

Included in Screening Libraries

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

Macl-GPIb alpha Interaction Library (22969 compounds)

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L639-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L639-0067?
Check Price and Availability of L639-0067, 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 L639-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L639-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L639-0067
  • 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 L639-0067 available by request