SB36-0523 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(3-fluoro-4-methylphenyl)methanone

SB36-0523 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(3-fluoro-4-methylphenyl)methanone
SB36-0523 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(3-fluoro-4-methylphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0523
((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(3-fluoro-4-methylphenyl)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

SB36-0523

Molecular Formula

C20H22F3N5O2 (C20 H22 F3 N5 O2)

Compound Name

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

IUPAC name

1-{[(2S)-44-difluoro-1-(3-fluoro-4-methylbenzoyl)pyrrolidin-2-yl]methyl}-4-(pyrrolidine-1-carbonyl)-1H-123-triazole

SMILES

Cc(ccc(C(N(C1)[C@H](Cn2nnc(C(N3CCCC3)=O)c2)CC1(F)F)=O)c1)c1F

InChI

InChI=1S/C20H22F3N5O2/c1-13-4-5-14(8-16(13)21)18(29)28-12-20(22,23)9-15(28)10-27-11-17(24-25-27)19(30)26-6-2-3-7-26/h4-5,8,11,15H,2-3,6-7,9-10,12H2,1H3/t15-/m0/s1

InChI Key

DCZCRXFBJITGCA-HNNXBMFYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.422

Distribution Coefficient, logD

2.422

Water Solubility, LogSw

-2.63

Polar Surface Area

60.360

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SB36-0523 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 SB36-0523 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0523?
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What is the minimum amount of SB36-0523 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0523
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0523
  • 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 SB36-0523 available by request