L105-0003 Screening compound: 2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile

L105-0003 Screening compound: 2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile
L105-0003 Screening compound: 2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L105-0003
2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile

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

L105-0003

Molecular Formula

C18H18N4OS (C18 H18 N4 OS)

Compound Name

2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile

IUPAC name

2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H4H5H-pyrrolo[32-d]pyrimidin-2-yl}sulfanyl)acetonitrile

SMILES

CCCN(C1=O)C(SCC#N)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C18H18N4OS/c1-3-10-22-17(23)16-15(20-18(22)24-11-9-19)14(12-21(16)2)13-7-5-4-6-8-13/h4-8,12H,3,10-11H2,1-2H3

InChI Key

DSVBGNLTBUSIKY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118605

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.963

Distribution Coefficient, logD

2.963

Water Solubility, LogSw

-3.19

Polar Surface Area

43.958

Acid Dissociation Constant (pKa)

27.88

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

L105-0003 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Cardiovascular
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L105-0003 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L105-0003?
Check Price and Availability of L105-0003, 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 L105-0003 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L105-0003
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L105-0003
  • 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 L105-0003 available by request