S836-0319 Screening compound: 3,4-DIHYDRO-2(1H)-ISOQUINOLINYL[(3S,4S)-4-(METHOXYMETHYL)-1-(2-PYRIMIDINYL)TETRAHYDRO-1H-PYRROL-3-YL]METHANONE

S836-0319 Screening compound: 3,4-DIHYDRO-2(1H)-ISOQUINOLINYL[(3S,4S)-4-(METHOXYMETHYL)-1-(2-PYRIMIDINYL)TETRAHYDRO-1H-PYRROL-3-YL]METHANONE
S836-0319 Screening compound: 3,4-DIHYDRO-2(1H)-ISOQUINOLINYL[(3S,4S)-4-(METHOXYMETHYL)-1-(2-PYRIMIDINYL)TETRAHYDRO-1H-PYRROL-3-YL]METHANONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S836-0319
3,4-DIHYDRO-2(1H)-ISOQUINOLINYL[(3S,4S)-4-(METHOXYMETHYL)-1-(2-PYRIMIDINYL)TETRAHYDRO-1H-PYRROL-3-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

S836-0319

Molecular Formula

C20H24N4O2 (C20 H24 N4 O2)

Compound Name

3,4-DIHYDRO-2(1H)-ISOQUINOLINYL[(3S,4S)-4-(METHOXYMETHYL)-1-(2-PYRIMIDINYL)TETRAHYDRO-1H-PYRROL-3-YL]METHANONE

IUPAC name

2-[(3S4S)-4-(methoxymethyl)-1-(pyrimidin-2-yl)pyrrolidine-3-carbonyl]-1234-tetrahydroisoquinoline

SMILES

COC[C@@H](CN(C1)c2ncccn2)[C@H]1C(N(CC1)Cc2c1cccc2)=O

InChI

InChI=1S/C20H24N4O2/c1-26-14-17-12-24(20-21-8-4-9-22-20)13-18(17)19(25)23-10-7-15-5-2-3-6-16(15)11-23/h2-6,8-9,17-18H,7,10-14H2,1H3/t17-,18+/m1/s1

InChI Key

FEITWJLYQKAMNT-MSOLQXFVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

352.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.453

Distribution Coefficient, logD

2.453

Water Solubility, LogSw

-2.75

Polar Surface Area

47.020

Acid Dissociation Constant (pKa)

19.17

Base Dissociation Constant (pKb)

3.73

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.00

S836-0319 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetics of Beta-Turn Motifs Library (2153 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S836-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S836-0319?
Check Price and Availability of S836-0319, 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 S836-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S836-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S836-0319
  • 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 S836-0319 available by request