SB36-0632 Screening compound: cyclohexyl((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)methanone

SB36-0632 Screening compound: cyclohexyl((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)methanone
SB36-0632 Screening compound: cyclohexyl((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0632
cyclohexyl((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-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

SB36-0632

Molecular Formula

C19H27F2N5O3 (C19 H27 F2 N5 O3)

Compound Name

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

IUPAC name

4-(1-{[(2S)-1-cyclohexanecarbonyl-44-difluoropyrrolidin-2-yl]methyl}-1H-123-triazole-4-carbonyl)morpholine

SMILES

O=C(C1CCCCC1)N(C1)[C@H](Cn2nnc(C(N3CCOCC3)=O)c2)CC1(F)F

InChI

InChI=1S/C19H27F2N5O3/c20-19(21)10-15(26(13-19)17(27)14-4-2-1-3-5-14)11-25-12-16(22-23-25)18(28)24-6-8-29-9-7-24/h12,14-15H,1-11,13H2/t15-/m1/s1

InChI Key

FMLPQRBNNUPARK-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.364

Distribution Coefficient, logD

1.364

Water Solubility, LogSw

-1.41

Polar Surface Area

68.095

Acid Dissociation Constant (pKa)

23.92

Base Dissociation Constant (pKb)

-3.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

SB36-0632 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB36-0632 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0632?
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What is the minimum amount of SB36-0632 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0632
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0632
  • 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 SB36-0632 available by request