L068-0669 Screening compound: methyl 6-bromo-2-acetamido-7-{[methyl(phenyl)carbamoyl]methoxy}-1-benzothiophene-3-carboxylate

L068-0669 Screening compound: methyl 6-bromo-2-acetamido-7-{[methyl(phenyl)carbamoyl]methoxy}-1-benzothiophene-3-carboxylate
L068-0669 Screening compound: methyl 6-bromo-2-acetamido-7-{[methyl(phenyl)carbamoyl]methoxy}-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L068-0669
methyl 6-bromo-2-acetamido-7-{[methyl(phenyl)carbamoyl]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

L068-0669

Molecular Formula

C21H19BrN2O5S (C21 H19 BrN2 O5 S)

Compound Name

methyl 6-bromo-2-acetamido-7-{[methyl(phenyl)carbamoyl]methoxy}-1-benzothiophene-3-carboxylate

IUPAC name

methyl 6-bromo-2-acetamido-7-{[methyl(phenyl)carbamoyl]methoxy}-1-benzothiophene-3-carboxylate

SMILES

CC(Nc1c(C(OC)=O)c(ccc(Br)c2OCC(N(C)c3ccccc3)=O)c2s1)=O

InChI

InChI=1S/C21H19BrN2O5S/c1-12(25)23-20-17(21(27)28-3)14-9-10-15(22)18(19(14)30-20)29-11-16(26)24(2)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3,(H,23,25)

InChI Key

DQSFPJZFJBVIEP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15117507

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.266

Distribution Coefficient, logD

3.255

Water Solubility, LogSw

-3.66

Polar Surface Area

66.711

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with L068-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L068-0669?
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What is the minimum amount of L068-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L068-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L068-0669
  • 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 L068-0669 available by request