L155-0158 Screening compound: METHYL 3-({[1-(4-METHYL-2-PYRIMIDINYL)-4-PIPERIDYL]CARBONYL}AMINO)-2-THIOPHENECARBOXYLATE

L155-0158 Screening compound: METHYL 3-({[1-(4-METHYL-2-PYRIMIDINYL)-4-PIPERIDYL]CARBONYL}AMINO)-2-THIOPHENECARBOXYLATE
L155-0158 Screening compound: METHYL 3-({[1-(4-METHYL-2-PYRIMIDINYL)-4-PIPERIDYL]CARBONYL}AMINO)-2-THIOPHENECARBOXYLATE alternative view

Chemical Structure Depiction of ChemDiv screening compound L155-0158
METHYL 3-({[1-(4-METHYL-2-PYRIMIDINYL)-4-PIPERIDYL]CARBONYL}AMINO)-2-THIOPHENECARBOXYLATE

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

L155-0158

Molecular Formula

C17H20N4O3S (C17 H20 N4 O3 S)

Compound Name

METHYL 3-({[1-(4-METHYL-2-PYRIMIDINYL)-4-PIPERIDYL]CARBONYL}AMINO)-2-THIOPHENECARBOXYLATE

IUPAC name

methyl 3-[1-(4-methylpyrimidin-2-yl)piperidine-4-amido]thiophene-2-carboxylate

SMILES

Cc1ccnc(N(CC2)CCC2C(Nc2c(C(OC)=O)scc2)=O)n1

InChI

InChI=1S/C17H20N4O3S/c1-11-3-7-18-17(19-11)21-8-4-12(5-9-21)15(22)20-13-6-10-25-14(13)16(23)24-2/h3,6-7,10,12H,4-5,8-9H2,1-2H3,(H,20,22)

InChI Key

QBAPZWDGKQTCQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27234985

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.234

Distribution Coefficient, logD

2.098

Water Solubility, LogSw

-2.68

Polar Surface Area

66.013

Acid Dissociation Constant (pKa)

7.84

Base Dissociation Constant (pKb)

4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.18

L155-0158 in Drug Discovery

Included in Screening Libraries

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

Integrin Receptors Targeted library (1715 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Others
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L155-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L155-0158?
Check Price and Availability of L155-0158, 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 L155-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L155-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L155-0158
  • 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 L155-0158 available by request