SB53-0943 Screening compound: [(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](1-methyl-1H-pyrazol-4-yl)methanone

SB53-0943 Screening compound: [(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](1-methyl-1H-pyrazol-4-yl)methanone
SB53-0943 Screening compound: [(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](1-methyl-1H-pyrazol-4-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB53-0943
[(3S,4R)-3-[(dimethylamino)methyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-1-yl](1-methyl-1H-pyrazol-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

SB53-0943

Molecular Formula

C20H24N6O2 (C20 H24 N6 O2)

Compound Name

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

IUPAC name

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

SMILES

CN(C)C[C@@H](CN(C1)C(c2cn(C)nc2)=O)[C@H]1c1nnc(-c2ccccc2)o1

InChI

InChI=1S/C20H24N6O2/c1-24(2)10-16-12-26(20(27)15-9-21-25(3)11-15)13-17(16)19-23-22-18(28-19)14-7-5-4-6-8-14/h4-9,11,16-17H,10,12-13H2,1-3H3/t16-,17-/m1/s1

InChI Key

VBABQUKJKFDPNZ-IAGOWNOFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.891

Distribution Coefficient, logD

-1.519

Water Solubility, LogSw

-1.77

Polar Surface Area

66.060

Acid Dissociation Constant (pKa)

23.75

Base Dissociation Constant (pKb)

9.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

SB53-0943 in Drug Discovery

Included in Screening Libraries

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 SB53-0943 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB53-0943?
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What is the minimum amount of SB53-0943 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB53-0943
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB53-0943
  • 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 SB53-0943 available by request