SB20-0830 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-methyl-2-thienyl)methanone

SB20-0830 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-methyl-2-thienyl)methanone
SB20-0830 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-methyl-2-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-0830
[(2S)-2-({4-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-1H-1,2,3-triazol-1-yl}methyl)tetrahydro-1H-pyrrol-1-yl](3-methyl-2-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

SB20-0830

Molecular Formula

C23H25N5O2S (C23 H25 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-methyl-2-thienyl)methanone

IUPAC name

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

SMILES

Cc1c(C(N2[C@H](Cn3nnc(C(N(CC4)Cc5c4cccc5)=O)c3)CCC2)=O)scc1

InChI

InChI=1S/C23H25N5O2S/c1-16-9-12-31-21(16)23(30)28-10-4-7-19(28)14-27-15-20(24-25-27)22(29)26-11-8-17-5-2-3-6-18(17)13-26/h2-3,5-6,9,12,15,19H,4,7-8,10-11,13-14H2,1H3/t19-/m0/s1

InChI Key

DANMDPPVXJGIDF-IBGZPJMESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

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

2.989

Distribution Coefficient, logD

2.989

Water Solubility, LogSw

-2.95

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

39.13

SB20-0830 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 SB20-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-0830?
Check Price and Availability of SB20-0830, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB20-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-0830
  • 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 SB20-0830 available by request