SB33-0529 Screening compound: N~1~-[(3S,4R)-1-(2-ethoxybenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

SB33-0529 Screening compound: N~1~-[(3S,4R)-1-(2-ethoxybenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide
SB33-0529 Screening compound: N~1~-[(3S,4R)-1-(2-ethoxybenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB33-0529
N~1~-[(3S,4R)-1-(2-ethoxybenzoyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

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

SB33-0529

Molecular Formula

C24H27N5O4 (C24 H27 N5 O4)

Compound Name

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

IUPAC name

N-[(3S4R)-1-(2-ethoxybenzoyl)-4-(3-phenyl-1H-124-triazol-5-yl)pyrrolidin-3-yl]-2-methoxyacetamide

SMILES

CCOc(cccc1)c1C(N(C[C@@H]1c2nc(-c3ccccc3)n[nH]2)C[C@@H]1NC(COC)=O)=O

InChI

InChI=1S/C24H27N5O4/c1-3-33-20-12-8-7-11-17(20)24(31)29-13-18(19(14-29)25-21(30)15-32-2)23-26-22(27-28-23)16-9-5-4-6-10-16/h4-12,18-19H,3,13-15H2,1-2H3,(H,25,30)(H,26,27,28)/t18-,19-/m1/s1

InChI Key

SWZVYILWYHLECQ-RTBURBONSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

2.056

Water Solubility, LogSw

-2.97

Polar Surface Area

90.662

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

0.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

SB33-0529 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB33-0529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-0529?
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What is the minimum amount of SB33-0529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-0529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-0529
  • 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 SB33-0529 available by request