SB33-0436 Screening compound: N-[(3S,4R)-1-(4-chlorobenzyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

SB33-0436 Screening compound: N-[(3S,4R)-1-(4-chlorobenzyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide
SB33-0436 Screening compound: N-[(3S,4R)-1-(4-chlorobenzyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-0436
N-[(3S,4R)-1-(4-chlorobenzyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

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

SB33-0436

Molecular Formula

C21H22ClN5O (C21 H22 ClN5 O)

Compound Name

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

IUPAC name

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

SMILES

CC(N[C@@H](CN(Cc(cc1)ccc1Cl)C1)[C@H]1c1nc(-c2ccccc2)n[nH]1)=O

InChI

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

InChI Key

JQOXZWKYKLCAAS-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

3.027

Distribution Coefficient, logD

2.443

Water Solubility, LogSw

-3.57

Polar Surface Area

62.224

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

7.85

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.57

SB33-0436 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB33-0436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-0436?
Check Price and Availability of SB33-0436, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB33-0436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-0436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-0436
  • 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 SB33-0436 available by request