SB36-0670 Screening compound: 1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-2-(3-methylphenyl)-1-ethanone

SB36-0670 Screening compound: 1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-2-(3-methylphenyl)-1-ethanone
SB36-0670 Screening compound: 1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-2-(3-methylphenyl)-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0670
1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-2-(3-methylphenyl)-1-ethanone

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

SB36-0670

Molecular Formula

C21H25F2N5O3 (C21 H25 F2 N5 O3)

Compound Name

1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-2-(3-methylphenyl)-1-ethanone

IUPAC name

1-[(2S)-44-difluoro-2-{[4-(morpholine-4-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidin-1-yl]-2-(3-methylphenyl)ethan-1-one

SMILES

Cc1cccc(CC(N(C2)[C@H](Cn3nnc(C(N4CCOCC4)=O)c3)CC2(F)F)=O)c1

InChI

InChI=1S/C21H25F2N5O3/c1-15-3-2-4-16(9-15)10-19(29)28-14-21(22,23)11-17(28)12-27-13-18(24-25-27)20(30)26-5-7-31-8-6-26/h2-4,9,13,17H,5-8,10-12,14H2,1H3/t17-/m1/s1

InChI Key

OKAZCSRYAVTKIF-QGZVFWFLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.740

Distribution Coefficient, logD

1.740

Water Solubility, LogSw

-1.87

Polar Surface Area

67.375

Acid Dissociation Constant (pKa)

18.79

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

SB36-0670 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 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 SB36-0670 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0670?
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What is the minimum amount of SB36-0670 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0670
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0670
  • 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 SB36-0670 available by request