C301-0415 Screening compound: ethyl 2-[(2Z)-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

C301-0415 Screening compound: ethyl 2-[(2Z)-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
C301-0415 Screening compound: ethyl 2-[(2Z)-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-0415
ethyl 2-[(2Z)-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enamido]-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

C301-0415

Molecular Formula

C22H23NO6S (C22 H23 NO6 S)

Compound Name

ethyl 2-[(2Z)-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-[(2Z)-2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enamido]-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(/C(/O)=C/C(c(cc2)ccc2OC)=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C22H23NO6S/c1-3-29-22(27)19-15-6-4-5-7-18(15)30-21(19)23-20(26)17(25)12-16(24)13-8-10-14(28-2)11-9-13/h8-12,25H,3-7H2,1-2H3,(H,23,26)

InChI Key

HBEJNMIGXUJBLG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.49

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.699

Distribution Coefficient, logD

-0.950

Water Solubility, LogSw

-4.25

Polar Surface Area

80.150

Acid Dissociation Constant (pKa)

2.75

Base Dissociation Constant (pKb)

-4.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C301-0415 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0415?
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What is the minimum amount of C301-0415 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-0415
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-0415
  • 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 C301-0415 available by request