8011-0468 Screening compound: ethyl 4-{[(2E)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazinan-2-ylidene]amino}benzoate

8011-0468 Screening compound: ethyl 4-{[(2E)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazinan-2-ylidene]amino}benzoate
8011-0468 Screening compound: ethyl 4-{[(2E)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazinan-2-ylidene]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8011-0468
ethyl 4-{[(2E)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazinan-2-ylidene]amino}benzoate

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

8011-0468

Molecular Formula

C24H25N3O5S (C24 H25 N3 O5 S)

Compound Name

ethyl 4-{[(2E)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-3-(prop-2-en-1-yl)-1,3-thiazinan-2-ylidene]amino}benzoate

IUPAC name

ethyl 4-{[(2E)-6-[(4-methoxyphenyl)carbamoyl]-4-oxo-3-(prop-2-en-1-yl)-13-thiazinan-2-ylidene]amino}benzoate

SMILES

CCOC(c(cc1)ccc1/N=C(\N(CC=C)C(C1)=O)/SC1C(Nc(cc1)ccc1OC)=O)=O

InChI

InChI=1S/C24H25N3O5S/c1-4-14-27-21(28)15-20(22(29)25-17-10-12-19(31-3)13-11-17)33-24(27)26-18-8-6-16(7-9-18)23(30)32-5-2/h4,6-13,20H,1,5,14-15H2,2-3H3,(H,25,29)/t20-/m0/s1

InChI Key

UJKNUJUQTUADDH-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD02647634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.186

Distribution Coefficient, logD

4.186

Water Solubility, LogSw

-4.14

Polar Surface Area

76.686

Acid Dissociation Constant (pKa)

12.18

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with 8011-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8011-0468?
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What is the minimum amount of 8011-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8011-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8011-0468
  • 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 8011-0468 available by request