8003-4562 Screening compound: ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate

8003-4562 Screening compound: ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate
8003-4562 Screening compound: ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-4562
ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-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

8003-4562

Molecular Formula

C26H19ClN4O3S2 (C26 H19 ClN4 O3 S2)

Compound Name

ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate

IUPAC name

ethyl 6-amino-4-(2-chlorophenyl)-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4H-pyran-3-carboxylate

SMILES

CCOC(C(C1c(cccc2)c2Cl)=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C1C#N)=O

InChI

InChI=1S/C26H19ClN4O3S2/c1-2-33-26(32)23-20(34-24(30)17(13-29)22(23)16-6-3-4-7-18(16)27)14-36-25-15(12-28)9-10-19(31-25)21-8-5-11-35-21/h3-11,22H,2,14,30H2,1H3/t22-/m1/s1

InChI Key

JCJRWPFIRBNJLQ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD00743870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

535.05

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.758

Distribution Coefficient, logD

5.758

Water Solubility, LogSw

-5.86

Polar Surface Area

93.919

Acid Dissociation Constant (pKa)

13.83

Base Dissociation Constant (pKb)

0.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 8003-4562 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-4562?
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What is the minimum amount of 8003-4562 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-4562
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-4562
  • 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 8003-4562 available by request