L937-0046 Screening compound: 5-amino-N-[(4-chlorophenyl)methyl]-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide

L937-0046 Screening compound: 5-amino-N-[(4-chlorophenyl)methyl]-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide
L937-0046 Screening compound: 5-amino-N-[(4-chlorophenyl)methyl]-1-{[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L937-0046
5-amino-N-[(4-chlorophenyl)methyl]-1-{[5-methyl-2-(3-methylphenyl)-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

L937-0046

Molecular Formula

C22H21ClN6O2 (C22 H21 ClN6 O2)

Compound Name

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

IUPAC name

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

SMILES

Cc1c(Cn2nnc(C(NCc(cc3)ccc3Cl)=O)c2N)nc(-c2cc(C)ccc2)o1

InChI

InChI=1S/C22H21ClN6O2/c1-13-4-3-5-16(10-13)22-26-18(14(2)31-22)12-29-20(24)19(27-28-29)21(30)25-11-15-6-8-17(23)9-7-15/h3-10H,11-12,24H2,1-2H3,(H,25,30)

InChI Key

BZURGRJRXYMMMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18202229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.9

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.123

Distribution Coefficient, logD

3.123

Water Solubility, LogSw

-3.57

Polar Surface Area

88.732

Acid Dissociation Constant (pKa)

12.47

Base Dissociation Constant (pKb)

2.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

L937-0046 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 L937-0046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L937-0046?
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What is the minimum amount of L937-0046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L937-0046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L937-0046
  • 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 L937-0046 available by request