SA22-0699 Screening compound: 4,4-difluoro-1-[1-(2-methoxyacetyl)azetidin-3-yl]-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]pyrrolidine-2-carboxamide

SA22-0699 Screening compound: 4,4-difluoro-1-[1-(2-methoxyacetyl)azetidin-3-yl]-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]pyrrolidine-2-carboxamide
SA22-0699 Screening compound: 4,4-difluoro-1-[1-(2-methoxyacetyl)azetidin-3-yl]-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]pyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SA22-0699
4,4-difluoro-1-[1-(2-methoxyacetyl)azetidin-3-yl]-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]pyrrolidine-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

SA22-0699

Molecular Formula

C20H25F2N5O3 (C20 H25 F2 N5 O3)

Compound Name

4,4-difluoro-1-[1-(2-methoxyacetyl)azetidin-3-yl]-N-[(1-methyl-1H-1,3-benzodiazol-2-yl)methyl]pyrrolidine-2-carboxamide

IUPAC name

(2S)-44-difluoro-1-[1-(2-methoxyacetyl)azetidin-3-yl]-N-[(1-methyl-1H-13-benzodiazol-2-yl)methyl]pyrrolidine-2-carboxamide

SMILES

Cn1c(cccc2)c2nc1CNC([C@H](CC(C1)(F)F)N1C(C1)CN1C(COC)=O)=O

InChI

InChI=1S/C20H25F2N5O3/c1-25-15-6-4-3-5-14(15)24-17(25)8-23-19(29)16-7-20(21,22)12-27(16)13-9-26(10-13)18(28)11-30-2/h3-6,13,16H,7-12H2,1-2H3,(H,23,29)/t16-/m1/s1

InChI Key

OMKVBMUWWPICCU-MRXNPFEDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.373

Distribution Coefficient, logD

0.369

Water Solubility, LogSw

-1.76

Polar Surface Area

64.739

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

5.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.00

SA22-0699 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with SA22-0699 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SA22-0699?
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What is the minimum amount of SA22-0699 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SA22-0699
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SA22-0699
  • 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 SA22-0699 available by request