L105-0183 Screening compound: 2-{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile

L105-0183 Screening compound: 2-{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile
L105-0183 Screening compound: 2-{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L105-0183
2-{[5-methyl-3-(3-methylbutyl)-4-oxo-7-phenyl-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

L105-0183

Molecular Formula

C20H22N4OS (C20 H22 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H22N4OS/c1-14(2)9-11-24-19(25)18-17(22-20(24)26-12-10-21)16(13-23(18)3)15-7-5-4-6-8-15/h4-8,13-14H,9,11-12H2,1-3H3

InChI Key

MCJVKTCDSIIHBX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118666

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

366.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.752

Distribution Coefficient, logD

3.752

Water Solubility, LogSw

-3.79

Polar Surface Area

43.958

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-2.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L105-0183 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L105-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L105-0183?
Check Price and Availability of L105-0183, 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 L105-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L105-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L105-0183
  • 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 L105-0183 available by request