4478-7887 Screening compound: methyl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

4478-7887 Screening compound: methyl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
4478-7887 Screening compound: methyl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4478-7887
methyl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-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

4478-7887

Molecular Formula

C19H20ClNO4S (C19 H20 ClNO4 S)

Compound Name

methyl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

methyl 2-[2-(4-chloro-2-methylphenoxy)acetamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

Cc(cc(cc1)Cl)c1OCC(Nc1c(C(OC)=O)c(CCCC2)c2s1)=O

InChI

InChI=1S/C19H20ClNO4S/c1-11-9-12(20)7-8-14(11)25-10-16(22)21-18-17(19(23)24-2)13-5-3-4-6-15(13)26-18/h7-9H,3-6,10H2,1-2H3,(H,21,22)

InChI Key

QUGKQTRKCVJFDY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00783357

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.267

Distribution Coefficient, logD

3.086

Water Solubility, LogSw

-5.99

Polar Surface Area

51.591

Acid Dissociation Constant (pKa)

5.22

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

4478-7887 in Drug Discovery

Included in Screening Libraries

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 4478-7887 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4478-7887?
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What is the minimum amount of 4478-7887 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4478-7887
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4478-7887
  • 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 4478-7887 available by request