SB36-1036 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(6-methyl-2-pyridyl)methanone

SB36-1036 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(6-methyl-2-pyridyl)methanone
SB36-1036 Screening compound: ((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(6-methyl-2-pyridyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB36-1036
((2S)-4,4-difluoro-2-{[4-(1-pyrrolidinylcarbonyl)-1H-1,2,3-triazol-1-yl]methyl}tetrahydro-1H-pyrrol-1-yl)(6-methyl-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

SB36-1036

Molecular Formula

C19H22F2N6O2 (C19 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)(6-methyl-2-pyridyl)methanone

IUPAC name

2-[(2S)-44-difluoro-2-{[4-(pyrrolidine-1-carbonyl)-1H-123-triazol-1-yl]methyl}pyrrolidine-1-carbonyl]-6-methylpyridine

SMILES

Cc1cccc(C(N(C2)[C@H](Cn3nnc(C(N4CCCC4)=O)c3)CC2(F)F)=O)n1

InChI

InChI=1S/C19H22F2N6O2/c1-13-5-4-6-15(22-13)18(29)27-12-19(20,21)9-14(27)10-26-11-16(23-24-26)17(28)25-7-2-3-8-25/h4-6,11,14H,2-3,7-10,12H2,1H3/t14-/m1/s1

InChI Key

OUBXUEDPMKXQRV-CQSZACIVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.42

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

1.344

Distribution Coefficient, logD

1.344

Water Solubility, LogSw

-1.64

Polar Surface Area

68.782

Acid Dissociation Constant (pKa)

25.31

Base Dissociation Constant (pKb)

1.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

SB36-1036 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB36-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB36-1036?
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What is the minimum amount of SB36-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB36-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB36-1036
  • 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 SB36-1036 available by request