SB53-0991 Screening compound: cyclohexyl[(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl]methanone

SB53-0991 Screening compound: cyclohexyl[(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl]methanone
SB53-0991 Screening compound: cyclohexyl[(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB53-0991
cyclohexyl[(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-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

SB53-0991

Molecular Formula

C22H30N4O2 (C22 H30 N4 O2)

Compound Name

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

IUPAC name

{[(3S4R)-1-cyclohexanecarbonyl-4-(5-phenyl-134-oxadiazol-2-yl)pyrrolidin-3-yl]methyl}dimethylamine

SMILES

CN(C)C[C@@H](CN(C1)C(C2CCCCC2)=O)[C@H]1c1nnc(-c2ccccc2)o1

InChI

InChI=1S/C22H30N4O2/c1-25(2)13-18-14-26(22(27)17-11-7-4-8-12-17)15-19(18)21-24-23-20(28-21)16-9-5-3-6-10-16/h3,5-6,9-10,17-19H,4,7-8,11-15H2,1-2H3/t18-,19-/m1/s1

InChI Key

HLNJDPHFAFWQGJ-RTBURBONSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.198

Distribution Coefficient, logD

0.730

Water Solubility, LogSw

-3.22

Polar Surface Area

51.443

Acid Dissociation Constant (pKa)

23.08

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.09

SB53-0991 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB53-0991 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB53-0991?
Check Price and Availability of SB53-0991, 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 SB53-0991 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB53-0991
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB53-0991
  • 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 SB53-0991 available by request