SB42-0344 Screening compound: 2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-benzylacetamide

SB42-0344 Screening compound: 2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-benzylacetamide
SB42-0344 Screening compound: 2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-benzylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB42-0344
2-[(5S,8aR)-5-isobutyl-7-(2-methoxyethyl)-3,6-dioxohexahydroimidazo[1,5-a]pyrazin-2(3H)-yl]-N~1~-benzylacetamide

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

SB42-0344

Molecular Formula

C22H32N4O4 (C22 H32 N4 O4)

Compound Name

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

IUPAC name

2-[(5S8aR)-7-(2-methoxyethyl)-5-(2-methylpropyl)-36-dioxo-octahydroimidazo[15-a]pyrazin-2-yl]-N-benzylacetamide

SMILES

CC(C)C[C@@H](C(N(CCOC)C[C@@H]1CN2CC(NCc3ccccc3)=O)=O)N1C2=O

InChI

InChI=1S/C22H32N4O4/c1-16(2)11-19-21(28)24(9-10-30-3)13-18-14-25(22(29)26(18)19)15-20(27)23-12-17-7-5-4-6-8-17/h4-8,16,18-19H,9-15H2,1-3H3,(H,23,27)/t18-,19-/m0/s1

InChI Key

NEOYWDCIRSQVAO-OALUTQOASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.581

Distribution Coefficient, logD

1.581

Water Solubility, LogSw

-2.07

Polar Surface Area

69.431

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-0.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

59.09

SB42-0344 in Drug Discovery

Included in Screening Libraries

Natural-Product-Based Library (3730 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with SB42-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB42-0344?
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What is the minimum amount of SB42-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB42-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB42-0344
  • 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 SB42-0344 available by request