SA67-1106 Screening compound: 3-(2-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}ethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

SA67-1106 Screening compound: 3-(2-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}ethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
SA67-1106 Screening compound: 3-(2-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}ethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SA67-1106
3-(2-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}ethyl)-5-(4-fluorophenyl)-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

SA67-1106

Molecular Formula

C19H22FN5O3S (C19 H22 FN5 O3 S)

Compound Name

3-(2-{1-[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}ethyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

IUPAC name

3-(2-{1-[(12-dimethyl-1H-imidazol-4-yl)sulfonyl]pyrrolidin-3-yl}ethyl)-5-(4-fluorophenyl)-124-oxadiazole

SMILES

Cc1nc(S(N2CC(CCc3noc(-c(cc4)ccc4F)n3)CC2)(=O)=O)cn1C

InChI

InChI=1S/C19H22FN5O3S/c1-13-21-18(12-24(13)2)29(26,27)25-10-9-14(11-25)3-8-17-22-19(28-23-17)15-4-6-16(20)7-5-15/h4-7,12,14H,3,8-11H2,1-2H3/t14-/m1/s1

InChI Key

FABPLDCBZYBYQP-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32002855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.657

Distribution Coefficient, logD

2.657

Water Solubility, LogSw

-2.85

Polar Surface Area

76.995

Acid Dissociation Constant (pKa)

25.15

Base Dissociation Constant (pKb)

1.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

SA67-1106 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 SA67-1106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA67-1106?
Check Price and Availability of SA67-1106, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SA67-1106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA67-1106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA67-1106
  • 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 SA67-1106 available by request