SB42-0117 Screening compound: 2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(2-furylmethyl)acetamide

SB42-0117 Screening compound: 2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(2-furylmethyl)acetamide
SB42-0117 Screening compound: 2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(2-furylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB42-0117
2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(2-furylmethyl)acetamide

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

SB42-0117

Molecular Formula

C15H20N4O4 (C15 H20 N4 O4)

Compound Name

2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(2-furylmethyl)acetamide

IUPAC name

2-[(5S8aR)-57-dimethyl-36-dioxo-octahydroimidazo[15-a]pyrazin-2-yl]-N-[(furan-2-yl)methyl]acetamide

SMILES

C[C@@H](C(N(C)C[C@@H]1CN2CC(NCc3ccco3)=O)=O)N1C2=O

InChI

InChI=1S/C15H20N4O4/c1-10-14(21)17(2)7-11-8-18(15(22)19(10)11)9-13(20)16-6-12-4-3-5-23-12/h3-5,10-11H,6-9H2,1-2H3,(H,16,20)/t10-,11-/m0/s1

InChI Key

OMEPRFXDQUMJOL-QWRGUYRKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

320.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

-0.100

Distribution Coefficient, logD

-0.100

Water Solubility, LogSw

-1.67

Polar Surface Area

68.213

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-0.80

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.33

SB42-0117 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with SB42-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB42-0117?
Check Price and Availability of SB42-0117, 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 SB42-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB42-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB42-0117
  • 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 SB42-0117 available by request