SB20-1081 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-fluoro-4-pyridyl)methanone

SB20-1081 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-fluoro-4-pyridyl)methanone
SB20-1081 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-fluoro-4-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-1081
[(2S)-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrol-1-yl](3-fluoro-4-pyridyl)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

SB20-1081

Molecular Formula

C23H23FN6O2 (C23 H23 FN6 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](3-fluoro-4-pyridyl)methanone

IUPAC name

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

SMILES

O=C(c1cn(C[C@H](CCC2)N2C(c(ccnc2)c2F)=O)nn1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C23H23FN6O2/c24-20-12-25-9-7-19(20)22(31)30-10-3-6-18(30)14-29-15-21(26-27-29)23(32)28-11-8-16-4-1-2-5-17(16)13-28/h1-2,4-5,7,9,12,15,18H,3,6,8,10-11,13-14H2/t18-/m0/s1

InChI Key

ZQWMXMXMKZARAX-SFHVURJKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.876

Distribution Coefficient, logD

1.876

Water Solubility, LogSw

-2.13

Polar Surface Area

69.240

Acid Dissociation Constant (pKa)

24.25

Base Dissociation Constant (pKb)

3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.78

SB20-1081 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 SB20-1081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-1081?
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What is the minimum amount of SB20-1081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-1081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-1081
  • 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 SB20-1081 available by request