SB41-0496 Screening compound: (5S,8aS)-5-benzyl-2-(3,4-difluorobenzyl)-7-methyltetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione

SB41-0496 Screening compound: (5S,8aS)-5-benzyl-2-(3,4-difluorobenzyl)-7-methyltetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione
SB41-0496 Screening compound: (5S,8aS)-5-benzyl-2-(3,4-difluorobenzyl)-7-methyltetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SB41-0496
(5S,8aS)-5-benzyl-2-(3,4-difluorobenzyl)-7-methyltetrahydroimidazo[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

SB41-0496

Molecular Formula

C21H21F2N3O2 (C21 H21 F2 N3 O2)

Compound Name

(5S,8aS)-5-benzyl-2-(3,4-difluorobenzyl)-7-methyltetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione

IUPAC name

(5S8aS)-5-benzyl-2-[(34-difluorophenyl)methyl]-7-methyl-octahydroimidazo[15-a]pyrazine-36-dione

SMILES

CN(C[C@@H](CN1Cc(cc2)cc(F)c2F)N([C@H]2Cc3ccccc3)C1=O)C2=O

InChI

InChI=1S/C21H21F2N3O2/c1-24-12-16-13-25(11-15-7-8-17(22)18(23)9-15)21(28)26(16)19(20(24)27)10-14-5-3-2-4-6-14/h2-9,16,19H,10-13H2,1H3/t16-,19+/m1/s1

InChI Key

VLRREHHORNYAQR-APWZRJJASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.834

Distribution Coefficient, logD

2.834

Water Solubility, LogSw

-3.15

Polar Surface Area

36.082

Acid Dissociation Constant (pKa)

19.73

Base Dissociation Constant (pKb)

-1.70

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

33.33

SB41-0496 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 SB41-0496 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB41-0496?
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What is the minimum amount of SB41-0496 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB41-0496
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB41-0496
  • 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 SB41-0496 available by request