L937-0042 Screening compound: 5-amino-N-[(4-chlorophenyl)methyl]-1-{[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

L937-0042 Screening compound: 5-amino-N-[(4-chlorophenyl)methyl]-1-{[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
L937-0042 Screening compound: 5-amino-N-[(4-chlorophenyl)methyl]-1-{[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L937-0042
5-amino-N-[(4-chlorophenyl)methyl]-1-{[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-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

L937-0042

Molecular Formula

C24H25ClN6O4 (C24 H25 ClN6 O4)

Compound Name

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

IUPAC name

5-amino-N-[(4-chlorophenyl)methyl]-1-{[2-(4-ethoxy-3-methoxyphenyl)-5-methyl-13-oxazol-4-yl]methyl}-1H-123-triazole-4-carboxamide

SMILES

CCOc(ccc(-c1nc(Cn2nnc(C(NCc(cc3)ccc3Cl)=O)c2N)c(C)o1)c1)c1OC

InChI

InChI=1S/C24H25ClN6O4/c1-4-34-19-10-7-16(11-20(19)33-3)24-28-18(14(2)35-24)13-31-22(26)21(29-30-31)23(32)27-12-15-5-8-17(25)9-6-15/h5-11H,4,12-13,26H2,1-3H3,(H,27,32)

InChI Key

BXIAQDWVVSYFSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18202226

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.95

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.721

Distribution Coefficient, logD

2.721

Water Solubility, LogSw

-3.58

Polar Surface Area

103.572

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

L937-0042 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 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 L937-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L937-0042?
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What is the minimum amount of L937-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L937-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L937-0042
  • 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 L937-0042 available by request