SB42-0372 Screening compound: 2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-benzyl-N-ethylacetamide

SB42-0372 Screening compound: 2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-benzyl-N-ethylacetamide
SB42-0372 Screening compound: 2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-benzyl-N-ethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB42-0372
2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-benzyl-N-ethylacetamide

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

SB42-0372

Molecular Formula

C24H36N4O4 (C24 H36 N4 O4)

Compound Name

2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N-benzyl-N-ethylacetamide

IUPAC name

2-[(5S8aR)-7-(2-methoxyethyl)-5-(2-methylpropyl)-36-dioxo-octahydroimidazo[15-a]pyrazin-2-yl]-N-benzyl-N-ethylacetamide

SMILES

CCN(Cc1ccccc1)C(CN(C[C@@H](CN1CCOC)N2[C@@H](CC(C)C)C1=O)C2=O)=O

InChI

InChI=1S/C24H36N4O4/c1-5-25(14-19-9-7-6-8-10-19)22(29)17-27-16-20-15-26(11-12-32-4)23(30)21(13-18(2)3)28(20)24(27)31/h6-10,18,20-21H,5,11-17H2,1-4H3/t20-,21-/m0/s1

InChI Key

IXFJSMQTXHVLPQ-SFTDATJTSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.924

Distribution Coefficient, logD

1.924

Water Solubility, LogSw

-2.15

Polar Surface Area

60.639

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

0.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

62.50

SB42-0372 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB42-0372 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB42-0372?
Check Price and Availability of SB42-0372, 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 SB42-0372 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB42-0372
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB42-0372
  • 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 SB42-0372 available by request