SB53-0225 Screening compound: (3S,4R)-3-[(benzoylamino)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenethyltetrahydro-1H-pyrrole-1-carboxamide

SB53-0225 Screening compound: (3S,4R)-3-[(benzoylamino)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenethyltetrahydro-1H-pyrrole-1-carboxamide
SB53-0225 Screening compound: (3S,4R)-3-[(benzoylamino)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenethyltetrahydro-1H-pyrrole-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB53-0225
(3S,4R)-3-[(benzoylamino)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenethyltetrahydro-1H-pyrrole-1-carboxamide

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

SB53-0225

Molecular Formula

C24H27N5O3 (C24 H27 N5 O3)

Compound Name

(3S,4R)-3-[(benzoylamino)methyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-phenethyltetrahydro-1H-pyrrole-1-carboxamide

IUPAC name

(3R4S)-3-(5-methyl-134-oxadiazol-2-yl)-N-(2-phenylethyl)-4-[(phenylformamido)methyl]pyrrolidine-1-carboxamide

SMILES

Cc1nnc([C@@H](C2)[C@@H](CNC(c3ccccc3)=O)CN2C(NCCc2ccccc2)=O)o1

InChI

InChI=1S/C24H27N5O3/c1-17-27-28-23(32-17)21-16-29(24(31)25-13-12-18-8-4-2-5-9-18)15-20(21)14-26-22(30)19-10-6-3-7-11-19/h2-11,20-21H,12-16H2,1H3,(H,25,31)(H,26,30)/t20-,21-/m1/s1

InChI Key

JUYCADKWSGNPLN-NHCUHLMSSA-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

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.091

Distribution Coefficient, logD

2.091

Water Solubility, LogSw

-2.92

Polar Surface Area

81.261

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

-0.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

SB53-0225 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 SB53-0225 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB53-0225?
Check Price and Availability of SB53-0225, 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 SB53-0225 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB53-0225
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB53-0225
  • 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 SB53-0225 available by request