SB42-0286 Screening compound: (5S,8aR)-2-(2-chlorobenzyl)-5-isobutyl-7-methyltetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione

SB42-0286 Screening compound: (5S,8aR)-2-(2-chlorobenzyl)-5-isobutyl-7-methyltetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione
SB42-0286 Screening compound: (5S,8aR)-2-(2-chlorobenzyl)-5-isobutyl-7-methyltetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SB42-0286
(5S,8aR)-2-(2-chlorobenzyl)-5-isobutyl-7-methyltetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-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

SB42-0286

Molecular Formula

C18H24ClN3O2 (C18 H24 ClN3 O2)

Compound Name

(5S,8aR)-2-(2-chlorobenzyl)-5-isobutyl-7-methyltetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione

IUPAC name

(5S8aR)-2-[(2-chlorophenyl)methyl]-7-methyl-5-(2-methylpropyl)-octahydroimidazo[15-a]pyrazine-36-dione

SMILES

CC(C)C[C@@H](C(N(C)C[C@@H]1CN2Cc(cccc3)c3Cl)=O)N1C2=O

InChI

InChI=1S/C18H24ClN3O2/c1-12(2)8-16-17(23)20(3)10-14-11-21(18(24)22(14)16)9-13-6-4-5-7-15(13)19/h4-7,12,14,16H,8-11H2,1-3H3/t14-,16-/m0/s1

InChI Key

PIBQSEJSQAGSLY-HOCLYGCPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

349.86

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.945

Distribution Coefficient, logD

2.945

Water Solubility, LogSw

-3.30

Polar Surface Area

36.354

Acid Dissociation Constant (pKa)

20.37

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.56

SB42-0286 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with SB42-0286 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB42-0286?
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What is the minimum amount of SB42-0286 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB42-0286
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB42-0286
  • 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 SB42-0286 available by request