SB41-0142 Screening compound: (5S,8aS)-5,7-dimethyl-2-[4-(trifluoromethoxy)benzyl]tetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione

SB41-0142 Screening compound: (5S,8aS)-5,7-dimethyl-2-[4-(trifluoromethoxy)benzyl]tetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione
SB41-0142 Screening compound: (5S,8aS)-5,7-dimethyl-2-[4-(trifluoromethoxy)benzyl]tetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SB41-0142
(5S,8aS)-5,7-dimethyl-2-[4-(trifluoromethoxy)benzyl]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

SB41-0142

Molecular Formula

C16H18F3N3O3 (C16 H18 F3 N3 O3)

Compound Name

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

IUPAC name

(5S8aS)-57-dimethyl-2-{[4-(trifluoromethoxy)phenyl]methyl}-octahydroimidazo[15-a]pyrazine-36-dione

SMILES

C[C@@H](C(N(C)C[C@H]1CN2Cc(cc3)ccc3OC(F)(F)F)=O)N1C2=O

InChI

InChI=1S/C16H18F3N3O3/c1-10-14(23)20(2)8-12-9-21(15(24)22(10)12)7-11-3-5-13(6-4-11)25-16(17,18)19/h3-6,10,12H,7-9H2,1-2H3/t10-,12+/m0/s1

InChI Key

OTQARJBQIDTHFX-CMPLNLGQSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.036

Distribution Coefficient, logD

2.036

Water Solubility, LogSw

-2.36

Polar Surface Area

41.929

Acid Dissociation Constant (pKa)

20.59

Base Dissociation Constant (pKb)

-1.65

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB41-0142 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB41-0142 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB41-0142?
Check Price and Availability of SB41-0142, 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 SB41-0142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB41-0142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB41-0142
  • 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 SB41-0142 available by request