SB33-1462 Screening compound: N~1~-[(3S,4R)-1-(3-cyclopentenylcarbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide

SB33-1462 Screening compound: N~1~-[(3S,4R)-1-(3-cyclopentenylcarbonyl)-4-(3-phenyl-1H-1,2,4-triazol-5-yl)tetrahydro-1H-pyrrol-3-yl]-2-methoxyacetamide
SB33-1462 Screening compound: N~1~-[(3S,4R)-1-(3-cyclopentenylcarbonyl)-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 SB33-1462
N~1~-[(3S,4R)-1-(3-cyclopentenylcarbonyl)-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

SB33-1462

Molecular Formula

C21H25N5O3 (C21 H25 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

COCC(N[C@@H](CN(C1)C(C2CC=CC2)=O)[C@H]1c1nc(-c2ccccc2)n[nH]1)=O

InChI

InChI=1S/C21H25N5O3/c1-29-13-18(27)22-17-12-26(21(28)15-9-5-6-10-15)11-16(17)20-23-19(24-25-20)14-7-3-2-4-8-14/h2-8,15-17H,9-13H2,1H3,(H,22,27)(H,23,24,25)/t16-,17-/m1/s1

InChI Key

IOYUKBVSCRIVPC-IAGOWNOFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.600

Distribution Coefficient, logD

1.595

Water Solubility, LogSw

-2.11

Polar Surface Area

84.010

Acid Dissociation Constant (pKa)

7.39

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

42.86

SB33-1462 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB33-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB33-1462?
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What is the minimum amount of SB33-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB33-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB33-1462
  • 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 SB33-1462 available by request