L105-0193 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-3-(3-methylbutyl)-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

L105-0193 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-3-(3-methylbutyl)-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one
L105-0193 Screening compound: 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-3-(3-methylbutyl)-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L105-0193
2-{[(4-chlorophenyl)methyl]sulfanyl}-5-methyl-3-(3-methylbutyl)-7-phenyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-4-one

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

L105-0193

Molecular Formula

C25H26ClN3OS (C25 H26 ClN3 OS)

Compound Name

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

IUPAC name

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

SMILES

CC(C)CCN(C1=O)C(SCc(cc2)ccc2Cl)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C25H26ClN3OS/c1-17(2)13-14-29-24(30)23-22(21(15-28(23)3)19-7-5-4-6-8-19)27-25(29)31-16-18-9-11-20(26)12-10-18/h4-12,15,17H,13-14,16H2,1-3H3

InChI Key

XTJNBAOREVJGNP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15118674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.083

Distribution Coefficient, logD

6.083

Water Solubility, LogSw

-6.06

Polar Surface Area

26.195

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

L105-0193 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 L105-0193 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L105-0193?
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What is the minimum amount of L105-0193 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L105-0193
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L105-0193
  • 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 L105-0193 available by request