L937-0087 Screening compound: 5-amino-1-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide

L937-0087 Screening compound: 5-amino-1-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
L937-0087 Screening compound: 5-amino-1-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L937-0087
5-amino-1-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-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

L937-0087

Molecular Formula

C22H21BrN6O3 (C22 H21 BrN6 O3)

Compound Name

5-amino-1-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-N-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-1-{[2-(5-bromo-2-methoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}-N-(4-methylphenyl)-1H-123-triazole-4-carboxamide

SMILES

Cc1c(Cn2nnc(C(Nc3ccc(C)cc3)=O)c2N)nc(-c(cc(cc2)Br)c2OC)o1

InChI

InChI=1S/C22H21BrN6O3/c1-12-4-7-15(8-5-12)25-21(30)19-20(24)29(28-27-19)11-17-13(2)32-22(26-17)16-10-14(23)6-9-18(16)31-3/h4-10H,11,24H2,1-3H3,(H,25,30)

InChI Key

JNJFOBIEXMWLRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18202250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.702

Distribution Coefficient, logD

3.702

Water Solubility, LogSw

-4.17

Polar Surface Area

95.040

Acid Dissociation Constant (pKa)

12.28

Base Dissociation Constant (pKb)

1.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L937-0087 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 L937-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L937-0087?
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What is the minimum amount of L937-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L937-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L937-0087
  • 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 L937-0087 available by request