SB13-0421 Screening compound: 6-(4-fluorophenyl)-1-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-2-one

SB13-0421 Screening compound: 6-(4-fluorophenyl)-1-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-2-one
SB13-0421 Screening compound: 6-(4-fluorophenyl)-1-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB13-0421
6-(4-fluorophenyl)-1-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-2-one

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

SB13-0421

Molecular Formula

C24H27FN2O3 (C24 H27 FN2 O3)

Compound Name

6-(4-fluorophenyl)-1-(2-methoxyethyl)-5-(1,2,3,4-tetrahydroisoquinoline-2-carbonyl)piperidin-2-one

IUPAC name

(5R6R)-6-(4-fluorophenyl)-1-(2-methoxyethyl)-5-(1234-tetrahydroisoquinoline-2-carbonyl)piperidin-2-one

SMILES

COCCN([C@@H]([C@H](CC1)C(N(CC2)Cc3c2cccc3)=O)c(cc2)ccc2F)C1=O

InChI

InChI=1S/C24H27FN2O3/c1-30-15-14-27-22(28)11-10-21(23(27)18-6-8-20(25)9-7-18)24(29)26-13-12-17-4-2-3-5-19(17)16-26/h2-9,21,23H,10-16H2,1H3/t21-,23+/m0/s1

InChI Key

XMADUPPNTWFSJD-JTHBVZDNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.091

Distribution Coefficient, logD

3.091

Water Solubility, LogSw

-3.45

Polar Surface Area

41.103

Acid Dissociation Constant (pKa)

20.37

Base Dissociation Constant (pKb)

-3.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.67

SB13-0421 in Drug Discovery

Included in Screening Libraries

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 SB13-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB13-0421?
Check Price and Availability of SB13-0421, 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 SB13-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB13-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB13-0421
  • 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 SB13-0421 available by request