SB36-0877 Screening compound: N-benzyl-1-({(2S)-4,4-difluoro-1-[(1-methyl-4-piperidyl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

SB36-0877 Screening compound: N-benzyl-1-({(2S)-4,4-difluoro-1-[(1-methyl-4-piperidyl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide
SB36-0877 Screening compound: N-benzyl-1-({(2S)-4,4-difluoro-1-[(1-methyl-4-piperidyl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0877
N-benzyl-1-({(2S)-4,4-difluoro-1-[(1-methyl-4-piperidyl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-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

SB36-0877

Molecular Formula

C22H28F2N6O2 (C22 H28 F2 N6 O2)

Compound Name

N-benzyl-1-({(2S)-4,4-difluoro-1-[(1-methyl-4-piperidyl)carbonyl]tetrahydro-1H-pyrrol-2-yl}methyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-benzyl-1-{[(2S)-44-difluoro-1-(1-methylpiperidine-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

CN(CC1)CCC1C(N(C1)[C@H](Cn2nnc(C(NCc3ccccc3)=O)c2)CC1(F)F)=O

InChI

InChI=1S/C22H28F2N6O2/c1-28-9-7-17(8-10-28)21(32)30-15-22(23,24)11-18(30)13-29-14-19(26-27-29)20(31)25-12-16-5-3-2-4-6-16/h2-6,14,17-18H,7-13,15H2,1H3,(H,25,31)/t18-/m1/s1

InChI Key

DBIDLDIELOZPKR-GOSISDBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.092

Distribution Coefficient, logD

-2.661

Water Solubility, LogSw

-1.81

Polar Surface Area

71.428

Acid Dissociation Constant (pKa)

11.84

Base Dissociation Constant (pKb)

11.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

SB36-0877 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB36-0877 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0877?
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What is the minimum amount of SB36-0877 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0877
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0877
  • 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 SB36-0877 available by request