L068-0728 Screening compound: methyl 6-bromo-2-acetamido-7-[2-(morpholin-4-yl)ethoxy]-1-benzothiophene-3-carboxylate

L068-0728 Screening compound: methyl 6-bromo-2-acetamido-7-[2-(morpholin-4-yl)ethoxy]-1-benzothiophene-3-carboxylate
L068-0728 Screening compound: methyl 6-bromo-2-acetamido-7-[2-(morpholin-4-yl)ethoxy]-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L068-0728
methyl 6-bromo-2-acetamido-7-[2-(morpholin-4-yl)ethoxy]-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

L068-0728

Molecular Formula

C18H21BrN2O5S (C18 H21 BrN2 O5 S)

Compound Name

methyl 6-bromo-2-acetamido-7-[2-(morpholin-4-yl)ethoxy]-1-benzothiophene-3-carboxylate

IUPAC name

methyl 6-bromo-2-acetamido-7-[2-(morpholin-4-yl)ethoxy]-1-benzothiophene-3-carboxylate

SMILES

CC(Nc1c(C(OC)=O)c(ccc(Br)c2OCCN3CCOCC3)c2s1)=O

InChI

InChI=1S/C18H21BrN2O5S/c1-11(22)20-17-14(18(23)24-2)12-3-4-13(19)15(16(12)27-17)26-10-7-21-5-8-25-9-6-21/h3-4H,5-10H2,1-2H3,(H,20,22)

InChI Key

SSFWOXYDECLSPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15117522

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.35

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.551

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-2.83

Polar Surface Area

63.408

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

L068-0728 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L068-0728 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L068-0728?
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What is the minimum amount of L068-0728 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L068-0728
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L068-0728
  • 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 L068-0728 available by request