S985-0065 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[5-methyl-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]ethan-1-one

S985-0065 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[5-methyl-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]ethan-1-one
S985-0065 Screening compound: 2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[5-methyl-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S985-0065
2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[5-methyl-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]ethan-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

S985-0065

Molecular Formula

C19H29N5O2 (C19 H29 N5 O2)

Compound Name

2-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[5-methyl-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[3,4-c]pyrrol-2-yl]ethan-1-one

IUPAC name

1-[(3aS6aS)-5-methyl-3a-(pyrrolidine-1-carbonyl)-octahydropyrrolo[34-c]pyrrol-2-yl]-2-(35-dimethyl-1H-pyrazol-1-yl)ethan-1-one

SMILES

Cc1cc(C)nn1CC(N(C[C@@H]1CN(C)C2)C[C@]12C(N1CCCC1)=O)=O

InChI

InChI=1S/C19H29N5O2/c1-14-8-15(2)24(20-14)11-17(25)23-10-16-9-21(3)12-19(16,13-23)18(26)22-6-4-5-7-22/h8,16H,4-7,9-13H2,1-3H3/t16-,19-/m0/s1

InChI Key

NEJFSZWBTMNCLB-LPHOPBHVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.264

Distribution Coefficient, logD

-5.938

Water Solubility, LogSw

-0.31

Polar Surface Area

51.243

Acid Dissociation Constant (pKa)

24.96

Base Dissociation Constant (pKb)

13.07

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

73.68

S985-0065 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with S985-0065 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S985-0065?
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What is the minimum amount of S985-0065 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S985-0065
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S985-0065
  • 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 S985-0065 available by request