SB36-1032 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-2-pyridyl)methanone

SB36-1032 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-2-pyridyl)methanone
SB36-1032 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-2-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1032
((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(3-fluoro-2-pyridyl)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

SB36-1032

Molecular Formula

C18H19F3N6O2 (C18 H19 F3 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)(3-fluoro-2-pyridyl)methanone

IUPAC name

2-[(2S)-44-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidine-1-carbonyl]-3-fluoropyridine

SMILES

O=C(c1cn(C[C@H](CC(C2)(F)F)N2C(c(nccc2)c2F)=O)nn1)N1CCCC1

InChI

InChI=1S/C18H19F3N6O2/c19-13-4-3-5-22-15(13)17(29)27-11-18(20,21)8-12(27)9-26-10-14(23-24-26)16(28)25-6-1-2-7-25/h3-5,10,12H,1-2,6-9,11H2/t12-/m0/s1

InChI Key

ZFBDCZQXVNKXFE-LBPRGKRZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.38

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

0.920

Distribution Coefficient, logD

0.920

Water Solubility, LogSw

-1.30

Polar Surface Area

70.178

Acid Dissociation Constant (pKa)

25.08

Base Dissociation Constant (pKb)

-1.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SB36-1032 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB36-1032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1032?
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What is the minimum amount of SB36-1032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1032
  • 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 SB36-1032 available by request