SB41-0992 Screening compound: 2-[(5S,8aS)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-(2-pyrazinylmethyl)acetamide

SB41-0992 Screening compound: 2-[(5S,8aS)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-(2-pyrazinylmethyl)acetamide
SB41-0992 Screening compound: 2-[(5S,8aS)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-(2-pyrazinylmethyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB41-0992
2-[(5S,8aS)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-(2-pyrazinylmethyl)acetamide

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

SB41-0992

Molecular Formula

C20H30N6O4 (C20 H30 N6 O4)

Compound Name

2-[(5S,8aS)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-(2-pyrazinylmethyl)acetamide

IUPAC name

2-[(5S8aS)-7-(2-methoxyethyl)-5-(2-methylpropyl)-36-dioxo-octahydroimidazo[15-a]pyrazin-2-yl]-N-[(pyrazin-2-yl)methyl]acetamide

SMILES

CC(C)C[C@@H](C(N(CCOC)C[C@H]1CN2CC(NCc3nccnc3)=O)=O)N1C2=O

InChI

InChI=1S/C20H30N6O4/c1-14(2)8-17-19(28)24(6-7-30-3)11-16-12-25(20(29)26(16)17)13-18(27)23-10-15-9-21-4-5-22-15/h4-5,9,14,16-17H,6-8,10-13H2,1-3H3,(H,23,27)/t16-,17+/m1/s1

InChI Key

TZVBGLQYSDGVMI-SJORKVTESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

-0.009

Distribution Coefficient, logD

-0.009

Water Solubility, LogSw

-1.58

Polar Surface Area

88.492

Acid Dissociation Constant (pKa)

13.88

Base Dissociation Constant (pKb)

1.27

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

SB41-0992 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB41-0992 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB41-0992?
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What is the minimum amount of SB41-0992 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB41-0992
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB41-0992
  • 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 SB41-0992 available by request