SB20-0814 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl(1-{[(2S)-1-(3-fluoro-4-methylbenzoyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone

SB20-0814 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl(1-{[(2S)-1-(3-fluoro-4-methylbenzoyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone
SB20-0814 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl(1-{[(2S)-1-(3-fluoro-4-methylbenzoyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB20-0814
3,4-dihydro-2(1H)-isoquinolinyl(1-{[(2S)-1-(3-fluoro-4-methylbenzoyl)tetrahydro-1H-pyrrol-2-yl]methyl}-1H-1,2,3-triazol-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

SB20-0814

Molecular Formula

C25H26FN5O2 (C25 H26 FN5 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc(ccc(C(N1[C@H](Cn2nnc(C(N(CC3)Cc4c3cccc4)=O)c2)CCC1)=O)c1)c1F

InChI

InChI=1S/C25H26FN5O2/c1-17-8-9-19(13-22(17)26)24(32)31-11-4-7-21(31)15-30-16-23(27-28-30)25(33)29-12-10-18-5-2-3-6-20(18)14-29/h2-3,5-6,8-9,13,16,21H,4,7,10-12,14-15H2,1H3/t21-/m0/s1

InChI Key

AZYRHKDVPDLDTC-NRFANRHFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.51

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

3.278

Distribution Coefficient, logD

3.278

Water Solubility, LogSw

-3.19

Polar Surface Area

59.722

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

-3.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

SB20-0814 in Drug Discovery

Included in Screening Libraries

MCL1 Targeted Library (12200 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with SB20-0814 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB20-0814?
Check Price and Availability of SB20-0814, 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 SB20-0814 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB20-0814
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB20-0814
  • 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 SB20-0814 available by request