SA67-0048 Screening compound: 3-(2-{1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidin-3-yl}ethyl)-5-methyl-1,2,4-oxadiazole

SA67-0048 Screening compound: 3-(2-{1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidin-3-yl}ethyl)-5-methyl-1,2,4-oxadiazole
SA67-0048 Screening compound: 3-(2-{1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidin-3-yl}ethyl)-5-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-0048
3-(2-{1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidin-3-yl}ethyl)-5-methyl-1,2,4-oxadiazole

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

SA67-0048

Molecular Formula

C13H16ClN3O3S2 (C13 H16 ClN3 O3 S2)

Compound Name

3-(2-{1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidin-3-yl}ethyl)-5-methyl-1,2,4-oxadiazole

IUPAC name

3-(2-{1-[(5-chlorothiophen-2-yl)sulfonyl]pyrrolidin-3-yl}ethyl)-5-methyl-124-oxadiazole

SMILES

Cc1nc(CCC(CC2)CN2S(c(s2)ccc2Cl)(=O)=O)no1

InChI

InChI=1S/C13H16ClN3O3S2/c1-9-15-12(16-20-9)4-2-10-6-7-17(8-10)22(18,19)13-5-3-11(14)21-13/h3,5,10H,2,4,6-8H2,1H3/t10-/m1/s1

InChI Key

BUZPXBHRMQWRRV-SNVBAGLBSA-N

MDL Number (MFCD)

MFCD32002374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.87

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.919

Distribution Coefficient, logD

2.919

Water Solubility, LogSw

-3.43

Polar Surface Area

65.163

Acid Dissociation Constant (pKa)

25.15

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.85

SA67-0048 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SA67-0048 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-0048?
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What is the minimum amount of SA67-0048 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-0048
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-0048
  • 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 SA67-0048 available by request