SB33-1208 Screening compound: N-[(3S,4R)-1-(3-chlorobenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide

SB33-1208 Screening compound: N-[(3S,4R)-1-(3-chlorobenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide
SB33-1208 Screening compound: N-[(3S,4R)-1-(3-chlorobenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-1208
N-[(3S,4R)-1-(3-chlorobenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide

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

SB33-1208

Molecular Formula

C21H22ClN5O (C21 H22 ClN5 O)

Compound Name

N-[(3S,4R)-1-(3-chlorobenzyl)-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]benzamide

IUPAC name

N-[(3S4R)-1-[(3-chlorophenyl)methyl]-4-(3-methyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]benzamide

SMILES

Cc1n[nH]c([C@@H](CN(Cc2cccc(Cl)c2)C2)[C@H]2NC(c2ccccc2)=O)n1

InChI

InChI=1S/C21H22ClN5O/c1-14-23-20(26-25-14)18-12-27(11-15-6-5-9-17(22)10-15)13-19(18)24-21(28)16-7-3-2-4-8-16/h2-10,18-19H,11-13H2,1H3,(H,24,28)(H,23,25,26)/t18-,19-/m1/s1

InChI Key

FCPYNCGHNLPMPG-RTBURBONSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.729

Distribution Coefficient, logD

2.137

Water Solubility, LogSw

-3.55

Polar Surface Area

61.938

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

7.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.57

SB33-1208 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SB33-1208 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-1208?
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What is the minimum amount of SB33-1208 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-1208
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-1208
  • 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 SB33-1208 available by request