SB53-0011 Screening compound: N-{[(3S,4R)-1-[(3,4-dimethoxyphenyl)sulfonyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-3-yl]methyl}-N,N-dimethylamine

SB53-0011 Screening compound: N-{[(3S,4R)-1-[(3,4-dimethoxyphenyl)sulfonyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-3-yl]methyl}-N,N-dimethylamine
SB53-0011 Screening compound: N-{[(3S,4R)-1-[(3,4-dimethoxyphenyl)sulfonyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-3-yl]methyl}-N,N-dimethylamine alternative view

Chemical Structure Depiction of ChemDiv screening compound SB53-0011
N-{[(3S,4R)-1-[(3,4-dimethoxyphenyl)sulfonyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-3-yl]methyl}-N,N-dimethylamine

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

SB53-0011

Molecular Formula

C18H26N4O5S (C18 H26 N4 O5 S)

Compound Name

N-{[(3S,4R)-1-[(3,4-dimethoxyphenyl)sulfonyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-3-yl]methyl}-N,N-dimethylamine

IUPAC name

{[(3S4R)-1-(34-dimethoxybenzenesulfonyl)-4-(5-methyl-134-oxadiazol-2-yl)pyrrolidin-3-yl]methyl}dimethylamine

SMILES

Cc1nnc([C@@H](C2)[C@@H](CN(C)C)CN2S(c(cc2)cc(OC)c2OC)(=O)=O)o1

InChI

InChI=1S/C18H26N4O5S/c1-12-19-20-18(27-12)15-11-22(10-13(15)9-21(2)3)28(23,24)14-6-7-16(25-4)17(8-14)26-5/h6-8,13,15H,9-11H2,1-5H3/t13-,15-/m1/s1

InChI Key

RGKWXNNHPKAJRS-UKRRQHHQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.795

Distribution Coefficient, logD

-0.783

Water Solubility, LogSw

-2.41

Polar Surface Area

81.074

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

SB53-0011 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 SB53-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB53-0011?
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What is the minimum amount of SB53-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB53-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB53-0011
  • 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 SB53-0011 available by request