SB42-1122 Screening compound: 2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-ethyl-N~1~-isopropylacetamide

SB42-1122 Screening compound: 2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-ethyl-N~1~-isopropylacetamide
SB42-1122 Screening compound: 2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-ethyl-N~1~-isopropylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB42-1122
2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-ethyl-N~1~-isopropylacetamide

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

SB42-1122

Molecular Formula

C20H36N4O4 (C20 H36 N4 O4)

Compound Name

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

IUPAC name

2-[(5S8aR)-7-(2-methoxyethyl)-5-(2-methylpropyl)-36-dioxo-octahydroimidazo[15-a]pyrazin-2-yl]-N-ethyl-N-(propan-2-yl)acetamide

SMILES

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

InChI

InChI=1S/C20H36N4O4/c1-7-23(15(4)5)18(25)13-22-12-16-11-21(8-9-28-6)19(26)17(10-14(2)3)24(16)20(22)27/h14-17H,7-13H2,1-6H3/t16-,17-/m0/s1

InChI Key

QFINMPFNKDAMBV-IRXDYDNUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.353

Distribution Coefficient, logD

1.353

Water Solubility, LogSw

-1.18

Polar Surface Area

60.655

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

3.05

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

85.00

SB42-1122 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with SB42-1122 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB42-1122?
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What is the minimum amount of SB42-1122 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB42-1122
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB42-1122
  • 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 SB42-1122 available by request