8008-9695 Screening compound: N-[(5E)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]acetamide

8008-9695 Screening compound: N-[(5E)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]acetamide
8008-9695 Screening compound: N-[(5E)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8008-9695
N-[(5E)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]acetamide

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

8008-9695

Molecular Formula

C13H11IN2O4S (C13 H11 IN2 O4 S)

Compound Name

N-[(5E)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]acetamide

IUPAC name

N-[(5E)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-4-oxo-45-dihydro-13-thiazol-2-yl]acetamide

SMILES

CC(NC(S/C1=C/c(cc2OC)cc(I)c2O)=NC1=O)=O

InChI

InChI=1S/C13H11IN2O4S/c1-6(17)15-13-16-12(19)10(21-13)5-7-3-8(14)11(18)9(4-7)20-2/h3-5,18H,1-2H3,(H,15,16,17,19)

InChI Key

CMQREXITLAMMOC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01441929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.21

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.903

Distribution Coefficient, logD

1.823

Water Solubility, LogSw

-2.64

Polar Surface Area

69.083

Acid Dissociation Constant (pKa)

8.09

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 8008-9695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8008-9695?
Check Price and Availability of 8008-9695, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 8008-9695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8008-9695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8008-9695
  • 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 8008-9695 available by request