D443-2456 Screening compound: N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-isothiochromene-3-carboxamide

D443-2456 Screening compound: N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-isothiochromene-3-carboxamide
D443-2456 Screening compound: N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-isothiochromene-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D443-2456
N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-isothiochromene-3-carboxamide

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

D443-2456

Molecular Formula

C22H18N2O2S2 (C22 H18 N2 O2 S2)

Compound Name

N-{5-[(4-ethylphenyl)methyl]-1,3-thiazol-2-yl}-1-oxo-1H-isothiochromene-3-carboxamide

IUPAC name

N-{5-[(4-ethylphenyl)methyl]-13-thiazol-2-yl}-1-oxo-1H-isothiochromene-3-carboxamide

SMILES

CCc1ccc(Cc2cnc(NC(C(S3)=Cc(cccc4)c4C3=O)=O)s2)cc1

InChI

InChI=1S/C22H18N2O2S2/c1-2-14-7-9-15(10-8-14)11-17-13-23-22(27-17)24-20(25)19-12-16-5-3-4-6-18(16)21(26)28-19/h3-10,12-13H,2,11H2,1H3,(H,23,24,25)

InChI Key

KIPJPKQSANJXOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD10082003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.984

Distribution Coefficient, logD

5.976

Water Solubility, LogSw

-5.39

Polar Surface Area

46.619

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

-1.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

References: we are preparing a list of scientific research reports with D443-2456 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D443-2456?
Check Price and Availability of D443-2456, 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 D443-2456 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D443-2456
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D443-2456
  • 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 D443-2456 available by request