SB41-0409 Screening compound: (5S,8aS)-2-(3,4-dimethylbenzyl)-5-isobutyl-7-(2-methoxyethyl)tetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione

SB41-0409 Screening compound: (5S,8aS)-2-(3,4-dimethylbenzyl)-5-isobutyl-7-(2-methoxyethyl)tetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione
SB41-0409 Screening compound: (5S,8aS)-2-(3,4-dimethylbenzyl)-5-isobutyl-7-(2-methoxyethyl)tetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SB41-0409
(5S,8aS)-2-(3,4-dimethylbenzyl)-5-isobutyl-7-(2-methoxyethyl)tetrahydroimidazo[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

SB41-0409

Molecular Formula

C22H33N3O3 (C22 H33 N3 O3)

Compound Name

(5S,8aS)-2-(3,4-dimethylbenzyl)-5-isobutyl-7-(2-methoxyethyl)tetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione

IUPAC name

(5S8aS)-2-[(34-dimethylphenyl)methyl]-7-(2-methoxyethyl)-5-(2-methylpropyl)-octahydroimidazo[15-a]pyrazine-36-dione

SMILES

CC(C)C[C@@H](C(N(CCOC)C[C@H]1CN2Cc3cc(C)c(C)cc3)=O)N1C2=O

InChI

InChI=1S/C22H33N3O3/c1-15(2)10-20-21(26)23(8-9-28-5)13-19-14-24(22(27)25(19)20)12-18-7-6-16(3)17(4)11-18/h6-7,11,15,19-20H,8-10,12-14H2,1-5H3/t19-,20+/m1/s1

InChI Key

CSMZPVKHVSJULD-UXHICEINSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.255

Distribution Coefficient, logD

3.255

Water Solubility, LogSw

-3.19

Polar Surface Area

44.959

Acid Dissociation Constant (pKa)

20.95

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

63.64

SB41-0409 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 SB41-0409 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB41-0409?
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What is the minimum amount of SB41-0409 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB41-0409
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB41-0409
  • 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 SB41-0409 available by request