L102-2005 Screening compound: 2-[1-(3-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,3-thiazole-5-carboxamide

L102-2005 Screening compound: 2-[1-(3-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,3-thiazole-5-carboxamide
L102-2005 Screening compound: 2-[1-(3-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L102-2005
2-[1-(3-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,3-thiazole-5-carboxamide

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

L102-2005

Molecular Formula

C23H23N5O2S2 (C23 H23 N5 O2 S2)

Compound Name

2-[1-(3-methoxyphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-4-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-1,3-thiazole-5-carboxamide

IUPAC name

2-[1-(3-methoxyphenyl)-5-methyl-1H-123-triazol-4-yl]-4-methyl-N-{[4-(methylsulfanyl)phenyl]methyl}-13-thiazole-5-carboxamide

SMILES

Cc1c(-c2nc(C)c(C(NCc(cc3)ccc3SC)=O)s2)nnn1-c1cc(OC)ccc1

InChI

InChI=1S/C23H23N5O2S2/c1-14-21(22(29)24-13-16-8-10-19(31-4)11-9-16)32-23(25-14)20-15(2)28(27-26-20)17-6-5-7-18(12-17)30-3/h5-12H,13H2,1-4H3,(H,24,29)

InChI Key

GNHWCZRTMDYIIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD22590127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.671

Distribution Coefficient, logD

4.671

Water Solubility, LogSw

-4.51

Polar Surface Area

69.349

Acid Dissociation Constant (pKa)

11.88

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.70

L102-2005 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with L102-2005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L102-2005?
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What is the minimum amount of L102-2005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L102-2005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L102-2005
  • 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 L102-2005 available by request