SB36-1011 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(2-quinolyl)methanone

SB36-1011 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(2-quinolyl)methanone
SB36-1011 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(2-quinolyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1011
((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(2-quinolyl)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

SB36-1011

Molecular Formula

C22H22F2N6O2 (C22 H22 F2 N6 O2)

Compound Name

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

IUPAC name

2-[(2S)-44-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidine-1-carbonyl]quinoline

SMILES

O=C(c1cn(C[C@H](CC(C2)(F)F)N2C(c2nc3ccccc3cc2)=O)nn1)N1CCCC1

InChI

InChI=1S/C22H22F2N6O2/c23-22(24)11-16(12-29-13-19(26-27-29)20(31)28-9-3-4-10-28)30(14-22)21(32)18-8-7-15-5-1-2-6-17(15)25-18/h1-2,5-8,13,16H,3-4,9-12,14H2/t16-/m1/s1

InChI Key

AUTBZXNLJNRSHK-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

440.45

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

2.350

Distribution Coefficient, logD

2.350

Water Solubility, LogSw

-2.87

Polar Surface Area

68.691

Acid Dissociation Constant (pKa)

25.31

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.91

SB36-1011 in Drug Discovery

Included in Screening Libraries

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

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with SB36-1011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1011?
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What is the minimum amount of SB36-1011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1011
  • 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 SB36-1011 available by request