SB36-1276 Screening compound: 1-{[(2S)-4,4-difluoro-1-(2-quinolylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide

SB36-1276 Screening compound: 1-{[(2S)-4,4-difluoro-1-(2-quinolylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide
SB36-1276 Screening compound: 1-{[(2S)-4,4-difluoro-1-(2-quinolylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1276
1-{[(2S)-4,4-difluoro-1-(2-quinolylcarbonyl)tetrahydro-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

SB36-1276

Molecular Formula

C19H18F2N6O2 (C19 H18 F2 N6 O2)

Compound Name

1-{[(2S)-4,4-difluoro-1-(2-quinolylcarbonyl)tetrahydro-1H-pyrrol-2-yl]methyl}-N-methyl-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-{[(2S)-44-difluoro-1-(quinoline-2-carbonyl)pyrrolidin-2-yl]methyl}-N-methyl-1H-123-triazole-4-carboxamide

SMILES

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

InChI

InChI=1S/C19H18F2N6O2/c1-22-17(28)16-10-26(25-24-16)9-13-8-19(20,21)11-27(13)18(29)15-7-6-12-4-2-3-5-14(12)23-15/h2-7,10,13H,8-9,11H2,1H3,(H,22,28)/t13-/m1/s1

InChI Key

WFWCCKAXZWLQME-CYBMUJFWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.39

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.429

Distribution Coefficient, logD

1.429

Water Solubility, LogSw

-2.41

Polar Surface Area

76.512

Acid Dissociation Constant (pKa)

13.97

Base Dissociation Constant (pKb)

0.08

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.58

SB36-1276 in Drug Discovery

Included in Screening Libraries

Ion Channels Focused Library (26372 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 SB36-1276 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1276?
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What is the minimum amount of SB36-1276 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1276
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1276
  • 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 SB36-1276 available by request