8003-0348 Screening compound: ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate

8003-0348 Screening compound: ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate
8003-0348 Screening compound: ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0348
ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-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

8003-0348

Molecular Formula

C25H23IN4O3S (C25 H23 IN4 O3 S)

Compound Name

ethyl 6-amino-5-cyano-2-{[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate

IUPAC name

ethyl 6-amino-5-cyano-2-{[(3-cyano-456-trimethylpyridin-2-yl)sulfanyl]methyl}-4-(2-iodophenyl)-4H-pyran-3-carboxylate

SMILES

CCOC(C(C1c(cccc2)c2I)=C(CSc2nc(C)c(C)c(C)c2C#N)OC(N)=C1C#N)=O

InChI

InChI=1S/C25H23IN4O3S/c1-5-32-25(31)22-20(12-34-24-17(10-27)14(3)13(2)15(4)30-24)33-23(29)18(11-28)21(22)16-8-6-7-9-19(16)26/h6-9,21H,5,12,29H2,1-4H3/t21-/m1/s1

InChI Key

GDISABYJUHFWMK-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD00742701

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

586.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.176

Distribution Coefficient, logD

5.176

Water Solubility, LogSw

-5.18

Polar Surface Area

93.749

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

2.39

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 8003-0348 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0348?
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What is the minimum amount of 8003-0348 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0348
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0348
  • 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 8003-0348 available by request