SB33-0421 Screening compound: N-[(3S,4R)-1-[(2-methyl-3-furyl)carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

SB33-0421 Screening compound: N-[(3S,4R)-1-[(2-methyl-3-furyl)carbonyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide
SB33-0421 Screening compound: N-[(3S,4R)-1-[(2-methyl-3-furyl)carbonyl]-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 SB33-0421
N-[(3S,4R)-1-[(2-methyl-3-furyl)carbonyl]-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

SB33-0421

Molecular Formula

C20H21N5O3 (C20 H21 N5 O3)

Compound Name

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

IUPAC name

N-[(3S4R)-1-(2-methylfuran-3-carbonyl)-4-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]acetamide

SMILES

CC(N[C@@H](CN(C1)C(c2c(C)occ2)=O)[C@H]1c1nc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C20H21N5O3/c1-12-15(8-9-28-12)20(27)25-10-16(17(11-25)21-13(2)26)19-22-18(23-24-19)14-6-4-3-5-7-14/h3-9,16-17H,10-11H2,1-2H3,(H,21,26)(H,22,23,24)/t16-,17-/m1/s1

InChI Key

YAMQWZYAJHYMJI-IAGOWNOFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.420

Distribution Coefficient, logD

1.416

Water Solubility, LogSw

-2.28

Polar Surface Area

83.373

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

SB33-0421 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 SB33-0421 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-0421?
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What is the minimum amount of SB33-0421 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-0421
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-0421
  • 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 SB33-0421 available by request