SB42-0150 Screening compound: 2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(4-methylbenzyl)acetamide

SB42-0150 Screening compound: 2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(4-methylbenzyl)acetamide
SB42-0150 Screening compound: 2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(4-methylbenzyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB42-0150
2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(4-methylbenzyl)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

SB42-0150

Molecular Formula

C18H24N4O3 (C18 H24 N4 O3)

Compound Name

2-[(5S,8aR)-5,7-dimethyl-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-(4-methylbenzyl)acetamide

IUPAC name

2-[(5S8aR)-57-dimethyl-36-dioxo-octahydroimidazo[15-a]pyrazin-2-yl]-N-[(4-methylphenyl)methyl]acetamide

SMILES

C[C@@H](C(N(C)C[C@@H]1CN2CC(NCc3ccc(C)cc3)=O)=O)N1C2=O

InChI

InChI=1S/C18H24N4O3/c1-12-4-6-14(7-5-12)8-19-16(23)11-21-10-15-9-20(3)17(24)13(2)22(15)18(21)25/h4-7,13,15H,8-11H2,1-3H3,(H,19,23)/t13-,15-/m0/s1

InChI Key

COSKYUSVAQUZFM-ZFWWWQNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

344.41

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

0.573

Distribution Coefficient, logD

0.573

Water Solubility, LogSw

-1.84

Polar Surface Area

60.464

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

6.06

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB42-0150 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB42-0150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB42-0150?
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What is the minimum amount of SB42-0150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB42-0150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB42-0150
  • 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 SB42-0150 available by request