S990-1297 Screening compound: 4-cyclopentanecarbonyl-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane

S990-1297 Screening compound: 4-cyclopentanecarbonyl-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane
S990-1297 Screening compound: 4-cyclopentanecarbonyl-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane alternative view

Chemical Structure Depiction of ChemDiv screening compound S990-1297
4-cyclopentanecarbonyl-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane

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

S990-1297

Molecular Formula

C20H30N6O2 (C20 H30 N6 O2)

Compound Name

4-cyclopentanecarbonyl-1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,4-diazepane

IUPAC name

4-cyclopentanecarbonyl-1-[(13-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-methyl-124-oxadiazol-5-yl)-14-diazepane

SMILES

Cc1nn(C)cc1CN(CCC1c2nc(C)no2)CCN1C(C1CCCC1)=O

InChI

InChI=1S/C20H30N6O2/c1-14-17(12-24(3)22-14)13-25-9-8-18(19-21-15(2)23-28-19)26(11-10-25)20(27)16-6-4-5-7-16/h12,16,18H,4-11,13H2,1-3H3/t18-/m0/s1

InChI Key

OPERNALOEHYSFV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32232593

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.599

Distribution Coefficient, logD

-2.069

Water Solubility, LogSw

-1.50

Polar Surface Area

67.462

Acid Dissociation Constant (pKa)

22.88

Base Dissociation Constant (pKb)

11.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

70.00

S990-1297 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

CNS MPO Library (28609 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S990-1297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S990-1297?
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What is the minimum amount of S990-1297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S990-1297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S990-1297
  • 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 S990-1297 available by request