L068-0005 Screening compound: ethyl 6-methyl-7-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy}-2-propanamido-1-benzothiophene-3-carboxylate

L068-0005 Screening compound: ethyl 6-methyl-7-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy}-2-propanamido-1-benzothiophene-3-carboxylate
L068-0005 Screening compound: ethyl 6-methyl-7-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy}-2-propanamido-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L068-0005
ethyl 6-methyl-7-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy}-2-propanamido-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

L068-0005

Molecular Formula

C27H28N2O5S (C27 H28 N2 O5 S)

Compound Name

ethyl 6-methyl-7-{[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methoxy}-2-propanamido-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 6-methyl-7-{[5-methyl-2-(2-methylphenyl)-13-oxazol-4-yl]methoxy}-2-propanamido-1-benzothiophene-3-carboxylate

SMILES

CCC(Nc1c(C(OCC)=O)c2ccc(C)c(OCc3c(C)oc(-c4c(C)cccc4)n3)c2s1)=O

InChI

InChI=1S/C27H28N2O5S/c1-6-21(30)29-26-22(27(31)32-7-2)19-13-12-16(4)23(24(19)35-26)33-14-20-17(5)34-25(28-20)18-11-9-8-10-15(18)3/h8-13H,6-7,14H2,1-5H3,(H,29,30)

InChI Key

DMZRBDZWXPQAFI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15117413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.6

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.005

Distribution Coefficient, logD

5.992

Water Solubility, LogSw

-5.63

Polar Surface Area

69.187

Acid Dissociation Constant (pKa)

8.93

Base Dissociation Constant (pKb)

-1.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with L068-0005 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L068-0005?
Check Price and Availability of L068-0005, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of L068-0005 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L068-0005
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L068-0005
  • 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 L068-0005 available by request