L105-0367 Screening compound: propan-2-yl 2-{[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate

L105-0367 Screening compound: propan-2-yl 2-{[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate
L105-0367 Screening compound: propan-2-yl 2-{[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound L105-0367
propan-2-yl 2-{[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate

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

L105-0367

Molecular Formula

C21H23N3O3S (C21 H23 N3 O3 S)

Compound Name

propan-2-yl 2-{[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl]sulfanyl}acetate

IUPAC name

propan-2-yl 2-{[5-methyl-4-oxo-7-phenyl-3-(prop-2-en-1-yl)-3H4H5H-pyrrolo[32-d]pyrimidin-2-yl]sulfanyl}acetate

SMILES

CC(C)OC(CSC(N(CC=C)C1=O)=Nc2c1n(C)cc2-c1ccccc1)=O

InChI

InChI=1S/C21H23N3O3S/c1-5-11-24-20(26)19-18(22-21(24)28-13-17(25)27-14(2)3)16(12-23(19)4)15-9-7-6-8-10-15/h5-10,12,14H,1,11,13H2,2-4H3

InChI Key

FFSXEYIFFJVBNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27232507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.560

Distribution Coefficient, logD

3.560

Water Solubility, LogSw

-3.65

Polar Surface Area

46.304

Acid Dissociation Constant (pKa)

30.12

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L105-0367 in Drug Discovery

Included in Screening Libraries

Cysteine Proteases Inhibitors Library (7839 compounds)

Targeted Diversity Library (40567 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 L105-0367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L105-0367?
Check Price and Availability of L105-0367, 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 L105-0367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L105-0367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L105-0367
  • 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 L105-0367 available by request