L068-0732 Screening compound: methyl 6-bromo-2-acetamido-7-[(pyridin-4-yl)methoxy]-1-benzothiophene-3-carboxylate

L068-0732 Screening compound: methyl 6-bromo-2-acetamido-7-[(pyridin-4-yl)methoxy]-1-benzothiophene-3-carboxylate
L068-0732 Screening compound: methyl 6-bromo-2-acetamido-7-[(pyridin-4-yl)methoxy]-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L068-0732
methyl 6-bromo-2-acetamido-7-[(pyridin-4-yl)methoxy]-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

L068-0732

Molecular Formula

C18H15BrN2O4S (C18 H15 BrN2 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(Nc1c(C(OC)=O)c(ccc(Br)c2OCc3ccncc3)c2s1)=O

InChI

InChI=1S/C18H15BrN2O4S/c1-10(22)21-17-14(18(23)24-2)12-3-4-13(19)15(16(12)26-17)25-9-11-5-7-20-8-6-11/h3-8H,9H2,1-2H3,(H,21,22)

InChI Key

WMCJXAXICFTSRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15117524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.206

Distribution Coefficient, logD

3.195

Water Solubility, LogSw

-3.41

Polar Surface Area

61.026

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

4.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with L068-0732 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L068-0732?
Check Price and Availability of L068-0732, 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 L068-0732 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L068-0732
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L068-0732
  • 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 L068-0732 available by request