S382-1244 Screening compound: 7-[(2,5-difluorophenyl)methyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

S382-1244 Screening compound: 7-[(2,5-difluorophenyl)methyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
S382-1244 Screening compound: 7-[(2,5-difluorophenyl)methyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound S382-1244
7-[(2,5-difluorophenyl)methyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

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

S382-1244

Molecular Formula

C15H17F2N3O2 (C15 H17 F2 N3 O2)

Compound Name

7-[(2,5-difluorophenyl)methyl]-1,3-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

IUPAC name

7-[(25-difluorophenyl)methyl]-13-dimethyl-137-triazaspiro[4.4]nonane-24-dione

SMILES

CN(C1(CN(Cc(cc(cc2)F)c2F)CC1)C(N1C)=O)C1=O

InChI

InChI=1S/C15H17F2N3O2/c1-18-13(21)15(19(2)14(18)22)5-6-20(9-15)8-10-7-11(16)3-4-12(10)17/h3-4,7H,5-6,8-9H2,1-2H3/t15-/m0/s1

InChI Key

DVKLEIWGIMEBQQ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD31992725

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

309.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.719

Distribution Coefficient, logD

0.816

Water Solubility, LogSw

-2.14

Polar Surface Area

36.107

Acid Dissociation Constant (pKa)

27.47

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.67

S382-1244 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S382-1244 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S382-1244?
Check Price and Availability of S382-1244, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of S382-1244 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S382-1244
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S382-1244
  • 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 S382-1244 available by request