SB36-0552 Screening compound: cyclopropyl((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)methanone

SB36-0552 Screening compound: cyclopropyl((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)methanone
SB36-0552 Screening compound: cyclopropyl((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-0552
cyclopropyl((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-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

SB36-0552

Molecular Formula

C16H21F2N5O2 (C16 H21 F2 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(C1CC1)N(C1)[C@H](Cn2nnc(C(N3CCCC3)=O)c2)CC1(F)F

InChI

InChI=1S/C16H21F2N5O2/c17-16(18)7-12(23(10-16)14(24)11-3-4-11)8-22-9-13(19-20-22)15(25)21-5-1-2-6-21/h9,11-12H,1-8,10H2/t12-/m1/s1

InChI Key

AYGFRRVTKLSQGS-GFCCVEGCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

353.37

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

1.052

Distribution Coefficient, logD

1.052

Water Solubility, LogSw

-1.05

Polar Surface Area

60.883

Acid Dissociation Constant (pKa)

23.49

Base Dissociation Constant (pKb)

-2.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

75.00

SB36-0552 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SB36-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-0552?
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What is the minimum amount of SB36-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-0552
  • 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 SB36-0552 available by request