SB53-0298 Screening compound: N~1~-{[(3S,4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methyl}benzamide

SB53-0298 Screening compound: N~1~-{[(3S,4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methyl}benzamide
SB53-0298 Screening compound: N~1~-{[(3S,4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB53-0298
N~1~-{[(3S,4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methyl}benzamide

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

SB53-0298

Molecular Formula

C21H26N4O4 (C21 H26 N4 O4)

Compound Name

N~1~-{[(3S,4R)-4-(5-methyl-1,3,4-oxadiazol-2-yl)-1-(tetrahydro-2H-pyran-4-ylcarbonyl)tetrahydro-1H-pyrrol-3-yl]methyl}benzamide

IUPAC name

N-{[(3S4R)-4-(5-methyl-134-oxadiazol-2-yl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]methyl}benzamide

SMILES

Cc1nnc([C@@H](C2)[C@@H](CNC(c3ccccc3)=O)CN2C(C2CCOCC2)=O)o1

InChI

InChI=1S/C21H26N4O4/c1-14-23-24-20(29-14)18-13-25(21(27)16-7-9-28-10-8-16)12-17(18)11-22-19(26)15-5-3-2-4-6-15/h2-6,16-18H,7-13H2,1H3,(H,22,26)/t17-,18-/m0/s1

InChI Key

JPZVPWVMJLIKEQ-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.901

Distribution Coefficient, logD

0.901

Water Solubility, LogSw

-2.24

Polar Surface Area

79.377

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.38

SB53-0298 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 SB53-0298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB53-0298?
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What is the minimum amount of SB53-0298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB53-0298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB53-0298
  • 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 SB53-0298 available by request