SB36-1144 Screening compound: 1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone

SB36-1144 Screening compound: 1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone
SB36-1144 Screening compound: 1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1144
1-((2S)-4,4-difluoro-2-{[4-(morpholinocarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)-3-(4-methyl-1H-pyrazol-1-yl)-1-propanone

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

SB36-1144

Molecular Formula

C19H25F2N7O3 (C19 H25 F2 N7 O3)

Compound Name

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

IUPAC name

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

SMILES

Cc1cn(CCC(N(C2)[C@H](Cn3nnc(C(N4CCOCC4)=O)c3)CC2(F)F)=O)nc1

InChI

InChI=1S/C19H25F2N7O3/c1-14-9-22-26(10-14)3-2-17(29)28-13-19(20,21)8-15(28)11-27-12-16(23-24-27)18(30)25-4-6-31-7-5-25/h9-10,12,15H,2-8,11,13H2,1H3/t15-/m1/s1

InChI Key

AEDPIMHRNDUNBP-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.230

Distribution Coefficient, logD

-0.230

Water Solubility, LogSw

-0.09

Polar Surface Area

82.131

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

3.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.16

SB36-1144 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 SB36-1144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1144?
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What is the minimum amount of SB36-1144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1144
  • 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 SB36-1144 available by request