S974-2643 Screening compound: 7-(dimethylamino)-2-(3-methyl-1H-pyrazole-5-carbonyl)-3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazin-4-one

S974-2643 Screening compound: 7-(dimethylamino)-2-(3-methyl-1H-pyrazole-5-carbonyl)-3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazin-4-one
S974-2643 Screening compound: 7-(dimethylamino)-2-(3-methyl-1H-pyrazole-5-carbonyl)-3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S974-2643
7-(dimethylamino)-2-(3-methyl-1H-pyrazole-5-carbonyl)-3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazin-4-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

S974-2643

Molecular Formula

C18H29N5O2 (C18 H29 N5 O2)

Compound Name

7-(dimethylamino)-2-(3-methyl-1H-pyrazole-5-carbonyl)-3-(2-methylpropyl)-octahydropyrrolo[1,2-a]pyrazin-4-one

IUPAC name

(3S7S8aS)-7-(dimethylamino)-2-(3-methyl-1H-pyrazole-5-carbonyl)-3-(2-methylpropyl)-octahydropyrrolo[12-a]pyrazin-4-one

SMILES

CC(C)C[C@@H](C(N(C[C@H](C1)N(C)C)[C@@H]1C1)=O)N1C(c1cc(C)n[nH]1)=O

InChI

InChI=1S/C18H29N5O2/c1-11(2)6-16-18(25)22-9-13(21(4)5)8-14(22)10-23(16)17(24)15-7-12(3)19-20-15/h7,11,13-14,16H,6,8-10H2,1-5H3,(H,19,20)/t13-,14+,16+/m1/s1

InChI Key

KICWMDQNFHEEIN-YCPHGPKFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.155

Distribution Coefficient, logD

-0.550

Water Solubility, LogSw

-1.85

Polar Surface Area

58.014

Acid Dissociation Constant (pKa)

8.94

Base Dissociation Constant (pKb)

9.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

72.22

S974-2643 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS MPO Library (28609 compounds)

Natural-Product-Based Library (3730 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S974-2643 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S974-2643?
Check Price and Availability of S974-2643, 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 S974-2643 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S974-2643
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S974-2643
  • 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 S974-2643 available by request