SB53-0001 Screening compound: N-{[(3S,4R)-1-[(3-methoxyphenyl)sulfonyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-3-yl]methyl}-N,N-dimethylamine

SB53-0001 Screening compound: N-{[(3S,4R)-1-[(3-methoxyphenyl)sulfonyl]-4-(5-methyl-1,3,4-oxadiazol-2-yl)tetrahydro-1H-pyrrol-3-yl]methyl}-N,N-dimethylamine
SB53-0001 Screening compound: N-{[(3S,4R)-1-[(3-methoxyphenyl)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 SB53-0001
N-{[(3S,4R)-1-[(3-methoxyphenyl)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

SB53-0001

Molecular Formula

C17H24N4O4S (C17 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc1nnc([C@@H](C2)[C@@H](CN(C)C)CN2S(c2cc(OC)ccc2)(=O)=O)o1

InChI

InChI=1S/C17H24N4O4S/c1-12-18-19-17(25-12)16-11-21(10-13(16)9-20(2)3)26(22,23)15-7-5-6-14(8-15)24-4/h5-8,13,16H,9-11H2,1-4H3/t13-,16-/m1/s1

InChI Key

HODQVRKZQJMYED-CZUORRHYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.169

Distribution Coefficient, logD

-0.409

Water Solubility, LogSw

-2.55

Polar Surface Area

73.357

Acid Dissociation Constant (pKa)

23.53

Base Dissociation Constant (pKb)

8.97

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

SB53-0001 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 SB53-0001 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB53-0001?
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What is the minimum amount of SB53-0001 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB53-0001
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB53-0001
  • 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 SB53-0001 available by request