L068-0701 Screening compound: methyl 6-bromo-2-acetamido-7-{1-[(2-methylphenyl)carbamoyl]propoxy}-1-benzothiophene-3-carboxylate

L068-0701 Screening compound: methyl 6-bromo-2-acetamido-7-{1-[(2-methylphenyl)carbamoyl]propoxy}-1-benzothiophene-3-carboxylate
L068-0701 Screening compound: methyl 6-bromo-2-acetamido-7-{1-[(2-methylphenyl)carbamoyl]propoxy}-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound L068-0701
methyl 6-bromo-2-acetamido-7-{1-[(2-methylphenyl)carbamoyl]propoxy}-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

L068-0701

Molecular Formula

C23H23BrN2O5S (C23 H23 BrN2 O5 S)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1c(C)cccc1)=O)Oc(c1c(cc2)c(C(OC)=O)c(NC(C)=O)s1)c2Br

InChI

InChI=1S/C23H23BrN2O5S/c1-5-17(21(28)26-16-9-7-6-8-12(16)2)31-19-15(24)11-10-14-18(23(29)30-4)22(25-13(3)27)32-20(14)19/h6-11,17H,5H2,1-4H3,(H,25,27)(H,26,28)/t17-/m0/s1

InChI Key

NQPZRJKMCQYFMG-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15117516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

519.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.843

Distribution Coefficient, logD

4.833

Water Solubility, LogSw

-4.81

Polar Surface Area

73.436

Acid Dissociation Constant (pKa)

9.01

Base Dissociation Constant (pKb)

-0.01

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with L068-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L068-0701?
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What is the minimum amount of L068-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L068-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L068-0701
  • 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 L068-0701 available by request