SB36-0171 Screening compound: 1-({(2S)-1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide

SB36-0171 Screening compound: 1-({(2S)-1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide
SB36-0171 Screening compound: 1-({(2S)-1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0171
1-({(2S)-1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide

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

SB36-0171

Molecular Formula

C15H19F2N7O2 (C15 H19 F2 N7 O2)

Compound Name

1-({(2S)-1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4,4-difluorotetrahydro-1H-pyrrol-2-yl}methyl)-N-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S)-1-(15-dimethyl-1H-pyrazole-3-carbonyl)-44-difluoropyrrolidin-2-yl]methyl}-N-methyl-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(C(N(C2)[C@H](Cn3nnc(C(NC)=O)c3)CC2(F)F)=O)nn1C

InChI

InChI=1S/C15H19F2N7O2/c1-9-4-11(20-22(9)3)14(26)24-8-15(16,17)5-10(24)6-23-7-12(19-21-23)13(25)18-2/h4,7,10H,5-6,8H2,1-3H3,(H,18,25)/t10-/m1/s1

InChI Key

HHGIFYMEJYWZBU-SNVBAGLBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.472

Distribution Coefficient, logD

-0.472

Water Solubility, LogSw

-1.13

Polar Surface Area

82.667

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

-1.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.33

SB36-0171 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 SB36-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0171?
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What is the minimum amount of SB36-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0171
  • 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 SB36-0171 available by request