SB20-1082 Screening compound: (2S)-N-cyclohexyl-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrole-1-carboxamide

SB20-1082 Screening compound: (2S)-N-cyclohexyl-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrole-1-carboxamide
SB20-1082 Screening compound: (2S)-N-cyclohexyl-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-1082
(2S)-N-cyclohexyl-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrole-1-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

SB20-1082

Molecular Formula

C24H32N6O2 (C24 H32 N6 O2)

Compound Name

(2S)-N-cyclohexyl-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrole-1-carboxamide

IUPAC name

(2S)-N-cyclohexyl-2-{[4-(1234-tetrahydroisoquinoline-2-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidine-1-carboxamide

SMILES

O=C(c1cn(C[C@H](CCC2)N2C(NC2CCCCC2)=O)nn1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C24H32N6O2/c31-23(28-14-12-18-7-4-5-8-19(18)15-28)22-17-29(27-26-22)16-21-11-6-13-30(21)24(32)25-20-9-2-1-3-10-20/h4-5,7-8,17,20-21H,1-3,6,9-16H2,(H,25,32)/t21-/m0/s1

InChI Key

UKSSYMBNCOGUMV-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.56

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

3.217

Distribution Coefficient, logD

3.217

Water Solubility, LogSw

-3.08

Polar Surface Area

69.591

Acid Dissociation Constant (pKa)

17.25

Base Dissociation Constant (pKb)

2.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.33

SB20-1082 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SB20-1082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-1082?
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What is the minimum amount of SB20-1082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-1082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-1082
  • 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 SB20-1082 available by request