SB20-0834 Screening compound: [(2S)-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrol-1-yl](3-thienyl)methanone

SB20-0834 Screening compound: [(2S)-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrol-1-yl](3-thienyl)methanone
SB20-0834 Screening compound: [(2S)-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrol-1-yl](3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-0834
[(2S)-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrol-1-yl](3-thienyl)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

SB20-0834

Molecular Formula

C22H23N5O2S (C22 H23 N5 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cscc1)N1[C@H](Cn2nnc(C(N(CC3)Cc4c3cccc4)=O)c2)CCC1

InChI

InChI=1S/C22H23N5O2S/c28-21(18-8-11-30-15-18)27-9-3-6-19(27)13-26-14-20(23-24-26)22(29)25-10-7-16-4-1-2-5-17(16)12-25/h1-2,4-5,8,11,14-15,19H,3,6-7,9-10,12-13H2/t19-/m0/s1

InChI Key

FVVOESGDHHTPII-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.507

Distribution Coefficient, logD

2.507

Water Solubility, LogSw

-2.34

Polar Surface Area

60.741

Acid Dissociation Constant (pKa)

24.67

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.36

SB20-0834 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB20-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-0834?
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What is the minimum amount of SB20-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-0834
  • 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 SB20-0834 available by request