S984-1323 Screening compound: 1-{5-[2-(2-fluorophenyl)acetyl]-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl}-2-methylpropan-1-one

S984-1323 Screening compound: 1-{5-[2-(2-fluorophenyl)acetyl]-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl}-2-methylpropan-1-one
S984-1323 Screening compound: 1-{5-[2-(2-fluorophenyl)acetyl]-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl}-2-methylpropan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S984-1323
1-{5-[2-(2-fluorophenyl)acetyl]-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl}-2-methylpropan-1-one

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

S984-1323

Molecular Formula

C23H30FN3O3 (C23 H30 FN3 O3)

Compound Name

1-{5-[2-(2-fluorophenyl)acetyl]-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl}-2-methylpropan-1-one

IUPAC name

1-[(3aR6aR)-5-[2-(2-fluorophenyl)acetyl]-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[34-c]pyrrol-2-yl]-2-methylpropan-1-one

SMILES

CC(C)C(N(C[C@@H]1CN(C2)C(Cc(cccc3)c3F)=O)C[C@@]12C(N1CCCC1)=O)=O

InChI

InChI=1S/C23H30FN3O3/c1-16(2)21(29)27-13-18-12-26(20(28)11-17-7-3-4-8-19(17)24)14-23(18,15-27)22(30)25-9-5-6-10-25/h3-4,7-8,16,18H,5-6,9-15H2,1-2H3/t18-,23+/m1/s1

InChI Key

RCBDYNOHDWXYSO-JPYJTQIMSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.438

Distribution Coefficient, logD

2.438

Water Solubility, LogSw

-2.50

Polar Surface Area

50.488

Acid Dissociation Constant (pKa)

17.94

Base Dissociation Constant (pKb)

1.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.87

S984-1323 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

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

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
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 S984-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S984-1323?
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What is the minimum amount of S984-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S984-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S984-1323
  • 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 S984-1323 available by request