3136-1086 Screening compound: 3-(2-chlorophenyl)-5-methyl-N-(pentan-2-yl)-1,2-oxazole-4-carboxamide

3136-1086 Screening compound: 3-(2-chlorophenyl)-5-methyl-N-(pentan-2-yl)-1,2-oxazole-4-carboxamide
3136-1086 Screening compound: 3-(2-chlorophenyl)-5-methyl-N-(pentan-2-yl)-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3136-1086
3-(2-chlorophenyl)-5-methyl-N-(pentan-2-yl)-1,2-oxazole-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

3136-1086

Molecular Formula

C16H19ClN2O2 (C16 H19 ClN2 O2)

Compound Name

3-(2-chlorophenyl)-5-methyl-N-(pentan-2-yl)-1,2-oxazole-4-carboxamide

IUPAC name

3-(2-chlorophenyl)-5-methyl-N-(pentan-2-yl)-12-oxazole-4-carboxamide

SMILES

CCCC(C)NC(c1c(C)onc1-c(cccc1)c1Cl)=O

InChI

InChI=1S/C16H19ClN2O2/c1-4-7-10(2)18-16(20)14-11(3)21-19-15(14)12-8-5-6-9-13(12)17/h5-6,8-10H,4,7H2,1-3H3,(H,18,20)/t10-/m0/s1

InChI Key

SQDWZCSWFCYARU-JTQLQIEISA-N

MDL Number (MFCD)

MFCD02006891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

306.79

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.339

Distribution Coefficient, logD

3.339

Water Solubility, LogSw

-4.01

Polar Surface Area

46.325

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

-0.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

37.50

3136-1086 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3136-1086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3136-1086?
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What is the minimum amount of 3136-1086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3136-1086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3136-1086
  • 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 3136-1086 available by request