2279-1459 Screening compound: methyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

2279-1459 Screening compound: methyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
2279-1459 Screening compound: methyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2279-1459
methyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

2279-1459

Molecular Formula

C21H19ClN2O4S (C21 H19 ClN2 O4 S)

Compound Name

methyl 2-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-amido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-[3-(2-chlorophenyl)-5-methyl-12-oxazole-4-amido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

Cc1c(C(Nc2c(C(OC)=O)c(CCCC3)c3s2)=O)c(-c(cccc2)c2Cl)no1

InChI

InChI=1S/C21H19ClN2O4S/c1-11-16(18(24-28-11)12-7-3-5-9-14(12)22)19(25)23-20-17(21(26)27-2)13-8-4-6-10-15(13)29-20/h3,5,7,9H,4,6,8,10H2,1-2H3,(H,23,25)

InChI Key

WKENLFMEODEKRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01352952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.91

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.589

Distribution Coefficient, logD

0.806

Water Solubility, LogSw

-4.93

Polar Surface Area

66.179

Acid Dissociation Constant (pKa)

3.62

Base Dissociation Constant (pKb)

-5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

2279-1459 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with 2279-1459 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2279-1459?
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What is the minimum amount of 2279-1459 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2279-1459
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2279-1459
  • 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 2279-1459 available by request