L104-0106 Screening compound: N-(butan-2-yl)-2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

L104-0106 Screening compound: N-(butan-2-yl)-2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
L104-0106 Screening compound: N-(butan-2-yl)-2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L104-0106
N-(butan-2-yl)-2-({5-methyl-4-oxo-7-phenyl-3-propyl-3H,4H,5H-pyrrolo[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

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

L104-0106

Molecular Formula

C22H28N4O2S (C22 H28 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CCCN(C1=O)C(SCC(NC(C)CC)=O)=Nc2c1n(C)cc2-c1ccccc1

InChI

InChI=1S/C22H28N4O2S/c1-5-12-26-21(28)20-19(17(13-25(20)4)16-10-8-7-9-11-16)24-22(26)29-14-18(27)23-15(3)6-2/h7-11,13,15H,5-6,12,14H2,1-4H3,(H,23,27)/t15-/m0/s1

InChI Key

UCXWEWOWPOPBFM-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD27232395

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.522

Distribution Coefficient, logD

3.522

Water Solubility, LogSw

-3.66

Polar Surface Area

50.379

Acid Dissociation Constant (pKa)

16.24

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

L104-0106 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 L104-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L104-0106?
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What is the minimum amount of L104-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L104-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L104-0106
  • 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 L104-0106 available by request