SB33-0190 Screening compound: N-[(3S,4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide

SB33-0190 Screening compound: N-[(3S,4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide
SB33-0190 Screening compound: N-[(3S,4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-0190
N-[(3S,4R)-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-4-(3-methyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-1-cyclopentanecarboxamide

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

SB33-0190

Molecular Formula

C18H26N6OS (C18 H26 N6 OS)

Compound Name

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

IUPAC name

N-[(3S4R)-1-[(4-methyl-13-thiazol-5-yl)methyl]-4-(3-methyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]cyclopentanecarboxamide

SMILES

Cc1c(CN(C[C@@H]2c3nc(C)n[nH]3)C[C@@H]2NC(C2CCCC2)=O)scn1

InChI

InChI=1S/C18H26N6OS/c1-11-16(26-10-19-11)9-24-7-14(17-20-12(2)22-23-17)15(8-24)21-18(25)13-5-3-4-6-13/h10,13-15H,3-9H2,1-2H3,(H,21,25)(H,20,22,23)/t14-,15-/m1/s1

InChI Key

KFQMPQHIJPFLJU-HUUCEWRRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.297

Distribution Coefficient, logD

-0.445

Water Solubility, LogSw

-2.54

Polar Surface Area

72.701

Acid Dissociation Constant (pKa)

10.37

Base Dissociation Constant (pKb)

9.13

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

SB33-0190 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS Targets (44014 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB33-0190 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-0190?
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What is the minimum amount of SB33-0190 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-0190
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-0190
  • 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 SB33-0190 available by request