SB33-0497 Screening compound: N-[(3S,4R)-1-[3-(2-methoxyphenyl)propanoyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide

SB33-0497 Screening compound: N-[(3S,4R)-1-[3-(2-methoxyphenyl)propanoyl]-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]acetamide
SB33-0497 Screening compound: N-[(3S,4R)-1-[3-(2-methoxyphenyl)propanoyl]-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 SB33-0497
N-[(3S,4R)-1-[3-(2-methoxyphenyl)propanoyl]-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

SB33-0497

Molecular Formula

C24H27N5O3 (C24 H27 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(N[C@@H](CN(C1)C(CCc(cccc2)c2OC)=O)[C@H]1c1nc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C24H27N5O3/c1-16(30)25-20-15-29(22(31)13-12-17-8-6-7-11-21(17)32-2)14-19(20)24-26-23(27-28-24)18-9-4-3-5-10-18/h3-11,19-20H,12-15H2,1-2H3,(H,25,30)(H,26,27,28)/t19-,20-/m1/s1

InChI Key

DTCQDKQJFQRPRQ-WOJBJXKFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.501

Distribution Coefficient, logD

2.497

Water Solubility, LogSw

-2.93

Polar Surface Area

82.243

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

SB33-0497 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 SB33-0497 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-0497?
Check Price and Availability of SB33-0497, 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 SB33-0497 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-0497
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-0497
  • 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 SB33-0497 available by request