L068-0662 Screening compound: methyl 6-bromo-7-{[(3,4-dimethylphenyl)carbamoyl]methoxy}-2-acetamido-1-benzothiophene-3-carboxylate

L068-0662 Screening compound: methyl 6-bromo-7-{[(3,4-dimethylphenyl)carbamoyl]methoxy}-2-acetamido-1-benzothiophene-3-carboxylate
L068-0662 Screening compound: methyl 6-bromo-7-{[(3,4-dimethylphenyl)carbamoyl]methoxy}-2-acetamido-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L068-0662
methyl 6-bromo-7-{[(3,4-dimethylphenyl)carbamoyl]methoxy}-2-acetamido-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

L068-0662

Molecular Formula

C22H21BrN2O5S (C22 H21 BrN2 O5 S)

Compound Name

methyl 6-bromo-7-{[(3,4-dimethylphenyl)carbamoyl]methoxy}-2-acetamido-1-benzothiophene-3-carboxylate

IUPAC name

methyl 6-bromo-7-{[(34-dimethylphenyl)carbamoyl]methoxy}-2-acetamido-1-benzothiophene-3-carboxylate

SMILES

CC(Nc1c(C(OC)=O)c(ccc(Br)c2OCC(Nc3cc(C)c(C)cc3)=O)c2s1)=O

InChI

InChI=1S/C22H21BrN2O5S/c1-11-5-6-14(9-12(11)2)25-17(27)10-30-19-16(23)8-7-15-18(22(28)29-4)21(24-13(3)26)31-20(15)19/h5-9H,10H2,1-4H3,(H,24,26)(H,25,27)

InChI Key

ZZVRZAGIOQMVEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15117504

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.001

Distribution Coefficient, logD

4.991

Water Solubility, LogSw

-4.96

Polar Surface Area

74.747

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

0.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with L068-0662 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L068-0662?
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What is the minimum amount of L068-0662 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L068-0662
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L068-0662
  • 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 L068-0662 available by request