SB42-0425 Screening compound: (5S,8aR)-2-(3,4-difluorobenzyl)-5-isobutyl-7-(2-methoxyethyl)tetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione

SB42-0425 Screening compound: (5S,8aR)-2-(3,4-difluorobenzyl)-5-isobutyl-7-(2-methoxyethyl)tetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione
SB42-0425 Screening compound: (5S,8aR)-2-(3,4-difluorobenzyl)-5-isobutyl-7-(2-methoxyethyl)tetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SB42-0425
(5S,8aR)-2-(3,4-difluorobenzyl)-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

SB42-0425

Molecular Formula

C20H27F2N3O3 (C20 H27 F2 N3 O3)

Compound Name

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

IUPAC name

(5S8aR)-2-[(34-difluorophenyl)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]1CN2Cc(cc3)cc(F)c3F)=O)N1C2=O

InChI

InChI=1S/C20H27F2N3O3/c1-13(2)8-18-19(26)23(6-7-28-3)11-15-12-24(20(27)25(15)18)10-14-4-5-16(21)17(22)9-14/h4-5,9,13,15,18H,6-8,10-12H2,1-3H3/t15-,18-/m0/s1

InChI Key

MSHUKNRIXMYSOC-YJBOKZPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.45

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

2.502

Distribution Coefficient, logD

2.502

Water Solubility, LogSw

-2.59

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

60.00

SB42-0425 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 SB42-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB42-0425?
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What is the minimum amount of SB42-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB42-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB42-0425
  • 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 SB42-0425 available by request