L639-0471 Screening compound: N-benzyl-1-{6-[(3-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

L639-0471 Screening compound: N-benzyl-1-{6-[(3-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperidine-4-carboxamide
L639-0471 Screening compound: N-benzyl-1-{6-[(3-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L639-0471
N-benzyl-1-{6-[(3-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}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

L639-0471

Molecular Formula

C28H29N3O3S (C28 H29 N3 O3 S)

Compound Name

N-benzyl-1-{6-[(3-methoxyphenyl)methyl]-6H-thieno[2,3-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

IUPAC name

N-benzyl-1-{6-[(3-methoxyphenyl)methyl]-6H-thieno[23-b]pyrrole-5-carbonyl}piperidine-4-carboxamide

SMILES

COc1cccc(Cn2c(scc3)c3cc2C(N(CC2)CCC2C(NCc2ccccc2)=O)=O)c1

InChI

InChI=1S/C28H29N3O3S/c1-34-24-9-5-8-21(16-24)19-31-25(17-23-12-15-35-28(23)31)27(33)30-13-10-22(11-14-30)26(32)29-18-20-6-3-2-4-7-20/h2-9,12,15-17,22H,10-11,13-14,18-19H2,1H3,(H,29,32)

InChI Key

IWOLRYAFXDILSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27467043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.62

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

4.406

Water Solubility, LogSw

-4.37

Polar Surface Area

50.151

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

-1.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L639-0471 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

PLpro Library (6343 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases

References: we are preparing a list of scientific research reports with L639-0471 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L639-0471?
Check Price and Availability of L639-0471, 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 L639-0471 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L639-0471
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L639-0471
  • 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 L639-0471 available by request