SB53-0931 Screening compound: [(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](tetrahydro-2H-pyran-4-yl)methanone

SB53-0931 Screening compound: [(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](tetrahydro-2H-pyran-4-yl)methanone
SB53-0931 Screening compound: [(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](tetrahydro-2H-pyran-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB53-0931
[(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](tetrahydro-2H-pyran-4-yl)methanone

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

SB53-0931

Molecular Formula

C21H28N4O3 (C21 H28 N4 O3)

Compound Name

[(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](tetrahydro-2H-pyran-4-yl)methanone

IUPAC name

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

SMILES

CN(C)C[C@@H](CN(C1)C(C2CCOCC2)=O)[C@H]1c1nnc(-c2ccccc2)o1

InChI

InChI=1S/C21H28N4O3/c1-24(2)12-17-13-25(21(26)16-8-10-27-11-9-16)14-18(17)20-23-22-19(28-20)15-6-4-3-5-7-15/h3-7,16-18H,8-14H2,1-2H3/t17-,18-/m1/s1

InChI Key

QNJCXAKCKKCHTE-QZTJIDSGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.48

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.852

Distribution Coefficient, logD

-0.616

Water Solubility, LogSw

-2.47

Polar Surface Area

59.352

Acid Dissociation Constant (pKa)

23.37

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.14

SB53-0931 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 SB53-0931 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB53-0931?
Check Price and Availability of SB53-0931, 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 SB53-0931 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB53-0931
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB53-0931
  • 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 SB53-0931 available by request