SB41-0325 Screening compound: 2-[(5S,8aS)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-benzylacetamide

SB41-0325 Screening compound: 2-[(5S,8aS)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-benzylacetamide
SB41-0325 Screening compound: 2-[(5S,8aS)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB41-0325
2-[(5S,8aS)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-benzylacetamide

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

SB41-0325

Molecular Formula

C22H32N4O4 (C22 H32 N4 O4)

Compound Name

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

IUPAC name

2-[(5S8aS)-7-(2-methoxyethyl)-5-(2-methylpropyl)-36-dioxo-octahydroimidazo[15-a]pyrazin-2-yl]-N-benzylacetamide

SMILES

CC(C)C[C@@H](C(N(CCOC)C[C@H]1CN2CC(NCc3ccccc3)=O)=O)N1C2=O

InChI

InChI=1S/C22H32N4O4/c1-16(2)11-19-21(28)24(9-10-30-3)13-18-14-25(22(29)26(18)19)15-20(27)23-12-17-7-5-4-6-8-17/h4-8,16,18-19H,9-15H2,1-3H3,(H,23,27)/t18-,19+/m1/s1

InChI Key

NEOYWDCIRSQVAO-MOPGFXCFSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.581

Distribution Coefficient, logD

1.581

Water Solubility, LogSw

-2.07

Polar Surface Area

69.431

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.09

SB41-0325 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 SB41-0325 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB41-0325?
Check Price and Availability of SB41-0325, 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 SB41-0325 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB41-0325
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB41-0325
  • 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 SB41-0325 available by request