L002-0302 Screening compound: 2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile

L002-0302 Screening compound: 2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile
L002-0302 Screening compound: 2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound L002-0302
2-({3-benzyl-4-oxo-6-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

L002-0302

Molecular Formula

C21H16N4OS (C21 H16 N4 OS)

Compound Name

2-({3-benzyl-4-oxo-6-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetonitrile

IUPAC name

2-({3-benzyl-4-oxo-6-phenyl-3H4H5H-pyrrolo[32-d]pyrimidin-2-yl}sulfanyl)acetonitrile

SMILES

N#CCSC(N(Cc1ccccc1)C1=O)=Nc2c1[nH]c(-c1ccccc1)c2

InChI

InChI=1S/C21H16N4OS/c22-11-12-27-21-24-18-13-17(16-9-5-2-6-10-16)23-19(18)20(26)25(21)14-15-7-3-1-4-8-15/h1-10,13,23H,12,14H2

InChI Key

RRPMBALZJKHYDS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15116247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.928

Distribution Coefficient, logD

3.928

Water Solubility, LogSw

-4.10

Polar Surface Area

53.758

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

L002-0302 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cysteine Proteases Inhibitors Library (7839 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with L002-0302 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L002-0302?
Check Price and Availability of L002-0302, 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 L002-0302 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L002-0302
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L002-0302
  • 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 L002-0302 available by request