SB20-0842 Screening compound: [(2S)-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-3-methyl-1H-pyrazol-4-yl)methanone

SB20-0842 Screening compound: [(2S)-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-3-methyl-1H-pyrazol-4-yl)methanone
SB20-0842 Screening compound: [(2S)-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-3-methyl-1H-pyrazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-0842
[(2S)-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-3-methyl-1H-pyrazol-4-yl)methanone

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

SB20-0842

Molecular Formula

C24H29N7O2 (C24 H29 N7 O2)

Compound Name

[(2S)-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrol-1-yl](1-ethyl-3-methyl-1H-pyrazol-4-yl)methanone

IUPAC name

2-(1-{[(2S)-1-(1-ethyl-3-methyl-1H-pyrazole-4-carbonyl)pyrrolidin-2-yl]methyl}-1H-123-triazole-4-carbonyl)-1234-tetrahydroisoquinoline

SMILES

CCn1nc(C)c(C(N2[C@H](Cn3nnc(C(N(CC4)Cc5c4cccc5)=O)c3)CCC2)=O)c1

InChI

InChI=1S/C24H29N7O2/c1-3-29-15-21(17(2)26-29)23(32)31-11-6-9-20(31)14-30-16-22(25-27-30)24(33)28-12-10-18-7-4-5-8-19(18)13-28/h4-5,7-8,15-16,20H,3,6,9-14H2,1-2H3/t20-/m0/s1

InChI Key

AOJRBHOIDKYTDR-FQEVSTJZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.555

Distribution Coefficient, logD

1.555

Water Solubility, LogSw

-2.19

Polar Surface Area

74.577

Acid Dissociation Constant (pKa)

23.91

Base Dissociation Constant (pKb)

2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.83

SB20-0842 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB20-0842 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-0842?
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What is the minimum amount of SB20-0842 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-0842
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-0842
  • 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 SB20-0842 available by request