SB41-0500 Screening compound: (5S,8aS)-5-benzyl-2-(2-chloro-4-fluorobenzyl)-7-methyltetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione

SB41-0500 Screening compound: (5S,8aS)-5-benzyl-2-(2-chloro-4-fluorobenzyl)-7-methyltetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione
SB41-0500 Screening compound: (5S,8aS)-5-benzyl-2-(2-chloro-4-fluorobenzyl)-7-methyltetrahydroimidazo[1,5-a]pyrazine-3,6(2H,5H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound SB41-0500
(5S,8aS)-5-benzyl-2-(2-chloro-4-fluorobenzyl)-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

SB41-0500

Molecular Formula

C21H21ClFN3O2 (C21 H21 ClFN3 O2)

Compound Name

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

IUPAC name

(5S8aS)-5-benzyl-2-[(2-chloro-4-fluorophenyl)methyl]-7-methyl-octahydroimidazo[15-a]pyrazine-36-dione

SMILES

CN(C[C@@H](CN1Cc(ccc(F)c2)c2Cl)N([C@H]2Cc3ccccc3)C1=O)C2=O

InChI

InChI=1S/C21H21ClFN3O2/c1-24-12-17-13-25(11-15-7-8-16(23)10-18(15)22)21(28)26(17)19(20(24)27)9-14-5-3-2-4-6-14/h2-8,10,17,19H,9,11-13H2,1H3/t17-,19+/m1/s1

InChI Key

SNDCVRZNHJVTIP-MJGOQNOKSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.87

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

3.619

Distribution Coefficient, logD

3.619

Water Solubility, LogSw

-3.85

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

SB41-0500 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 SB41-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB41-0500?
Check Price and Availability of SB41-0500, 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 SB41-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB41-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB41-0500
  • 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 SB41-0500 available by request