SA21-0171 Screening compound: 1'-methanesulfonyl-3'-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-1,3'-bipyrrolidine

SA21-0171 Screening compound: 1'-methanesulfonyl-3'-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-1,3'-bipyrrolidine
SA21-0171 Screening compound: 1'-methanesulfonyl-3'-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-1,3'-bipyrrolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound SA21-0171
1'-methanesulfonyl-3'-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-1,3'-bipyrrolidine

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

SA21-0171

Molecular Formula

C13H24N6O3S (C13 H24 N6 O3 S)

Compound Name

1'-methanesulfonyl-3'-[1-(2-methoxyethyl)-1H-1,2,3,4-tetrazol-5-yl]-1,3'-bipyrrolidine

IUPAC name

1'-methanesulfonyl-3'-[1-(2-methoxyethyl)-1H-1234-tetrazol-5-yl]-13'-bipyrrolidine

SMILES

COCCn1nnnc1C(CC1)(CN1S(C)(=O)=O)N1CCCC1

InChI

InChI=1S/C13H24N6O3S/c1-22-10-9-19-12(14-15-16-19)13(17-6-3-4-7-17)5-8-18(11-13)23(2,20)21/h3-11H2,1-2H3/t13-/m0/s1

InChI Key

FHWIWAZTDAKKOI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32235862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.066

Distribution Coefficient, logD

0.066

Water Solubility, LogSw

-0.90

Polar Surface Area

82.980

Acid Dissociation Constant (pKa)

23.19

Base Dissociation Constant (pKb)

3.38

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

92.31

SA21-0171 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SA21-0171 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA21-0171?
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What is the minimum amount of SA21-0171 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA21-0171
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA21-0171
  • 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 SA21-0171 available by request