SA22-0614 Screening compound: 1-(1-cyclopropanecarbonylazetidin-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide

SA22-0614 Screening compound: 1-(1-cyclopropanecarbonylazetidin-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide
SA22-0614 Screening compound: 1-(1-cyclopropanecarbonylazetidin-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA22-0614
1-(1-cyclopropanecarbonylazetidin-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide

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

SA22-0614

Molecular Formula

C18H24F2N4O3 (C18 H24 F2 N4 O3)

Compound Name

1-(1-cyclopropanecarbonylazetidin-3-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4,4-difluoropyrrolidine-2-carboxamide

IUPAC name

(2S)-1-(1-cyclopropanecarbonylazetidin-3-yl)-N-[(35-dimethyl-12-oxazol-4-yl)methyl]-44-difluoropyrrolidine-2-carboxamide

SMILES

Cc1noc(C)c1CNC([C@H](CC(C1)(F)F)N1C(C1)CN1C(C1CC1)=O)=O

InChI

InChI=1S/C18H24F2N4O3/c1-10-14(11(2)27-22-10)6-21-16(25)15-5-18(19,20)9-24(15)13-7-23(8-13)17(26)12-3-4-12/h12-13,15H,3-9H2,1-2H3,(H,21,25)/t15-/m1/s1

InChI Key

GLLRADZHFOGHED-OAHLLOKOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.083

Distribution Coefficient, logD

1.083

Water Solubility, LogSw

-1.51

Polar Surface Area

67.146

Acid Dissociation Constant (pKa)

13.18

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

72.22

SA22-0614 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA22-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA22-0614?
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What is the minimum amount of SA22-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA22-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA22-0614
  • 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 SA22-0614 available by request