S398-2675 Screening compound: 4-[1-methyl-5-(pyrimidine-4-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine

S398-2675 Screening compound: 4-[1-methyl-5-(pyrimidine-4-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine
S398-2675 Screening compound: 4-[1-methyl-5-(pyrimidine-4-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine alternative view

Chemical Structure Depiction of ChemDiv screening compound S398-2675
4-[1-methyl-5-(pyrimidine-4-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine

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

S398-2675

Molecular Formula

C16H18N6O3 (C16 H18 N6 O3)

Compound Name

4-[1-methyl-5-(pyrimidine-4-carbonyl)-1H,4H,5H,6H-pyrrolo[3,4-c]pyrazole-3-carbonyl]morpholine

IUPAC name

4-[1-methyl-5-(pyrimidine-4-carbonyl)-1H4H5H6H-pyrrolo[34-c]pyrazole-3-carbonyl]morpholine

SMILES

Cn1nc(C(N2CCOCC2)=O)c(C2)c1CN2C(c1ncncc1)=O

InChI

InChI=1S/C16H18N6O3/c1-20-13-9-22(15(23)12-2-3-17-10-18-12)8-11(13)14(19-20)16(24)21-4-6-25-7-5-21/h2-3,10H,4-9H2,1H3

InChI Key

SMSTYNIKXGKVQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31953647

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-1.379

Distribution Coefficient, logD

-1.379

Water Solubility, LogSw

-0.90

Polar Surface Area

76.613

Acid Dissociation Constant (pKa)

19.86

Base Dissociation Constant (pKb)

1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.75

S398-2675 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S398-2675 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S398-2675?
Check Price and Availability of S398-2675, 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 S398-2675 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S398-2675
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S398-2675
  • 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 S398-2675 available by request