L277-0099 Screening compound: N~1~-cyclohexyl-4-{[1-methyl-5-(1-pyrrolidinylcarbonyl)-1H-1,3-benzimidazol-2-yl]methyl}tetrahydro-1(2H)-pyrazinecarboxamide

L277-0099 Screening compound: N~1~-cyclohexyl-4-{[1-methyl-5-(1-pyrrolidinylcarbonyl)-1H-1,3-benzimidazol-2-yl]methyl}tetrahydro-1(2H)-pyrazinecarboxamide
L277-0099 Screening compound: N~1~-cyclohexyl-4-{[1-methyl-5-(1-pyrrolidinylcarbonyl)-1H-1,3-benzimidazol-2-yl]methyl}tetrahydro-1(2H)-pyrazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L277-0099
N~1~-cyclohexyl-4-{[1-methyl-5-(1-pyrrolidinylcarbonyl)-1H-1,3-benzimidazol-2-yl]methyl}tetrahydro-1(2H)-pyrazinecarboxamide

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

L277-0099

Molecular Formula

C25H36N6O2 (C25 H36 N6 O2)

Compound Name

N~1~-cyclohexyl-4-{[1-methyl-5-(1-pyrrolidinylcarbonyl)-1H-1,3-benzimidazol-2-yl]methyl}tetrahydro-1(2H)-pyrazinecarboxamide

IUPAC name

N-cyclohexyl-4-{[1-methyl-5-(pyrrolidine-1-carbonyl)-1H-13-benzodiazol-2-yl]methyl}piperazine-1-carboxamide

SMILES

Cn1c(ccc(C(N2CCCC2)=O)c2)c2nc1CN(CC1)CCN1C(NC1CCCCC1)=O

InChI

InChI=1S/C25H36N6O2/c1-28-22-10-9-19(24(32)30-11-5-6-12-30)17-21(22)27-23(28)18-29-13-15-31(16-14-29)25(33)26-20-7-3-2-4-8-20/h9-10,17,20H,2-8,11-16,18H2,1H3,(H,26,33)

InChI Key

GRSICBWEOOJHIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27239149

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.391

Distribution Coefficient, logD

1.946

Water Solubility, LogSw

-2.87

Polar Surface Area

59.296

Acid Dissociation Constant (pKa)

16.99

Base Dissociation Constant (pKb)

7.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

64.00

L277-0099 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L277-0099 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L277-0099?
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What is the minimum amount of L277-0099 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L277-0099
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L277-0099
  • 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 L277-0099 available by request