8003-0352 Screening compound: ethyl 6-amino-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4-phenyl-4H-pyran-3-carboxylate

8003-0352 Screening compound: ethyl 6-amino-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4-phenyl-4H-pyran-3-carboxylate
8003-0352 Screening compound: ethyl 6-amino-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4-phenyl-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-0352
ethyl 6-amino-5-cyano-2-({[3-cyano-6-(thiophen-2-yl)pyridin-2-yl]sulfanyl}methyl)-4-phenyl-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

8003-0352

Molecular Formula

C26H20N4O3S2 (C26 H20 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1c2ccccc2)=C(CSc(nc(cc2)-c3cccs3)c2C#N)OC(N)=C1C#N)=O

InChI

InChI=1S/C26H20N4O3S2/c1-2-32-26(31)23-20(33-24(29)18(14-28)22(23)16-7-4-3-5-8-16)15-35-25-17(13-27)10-11-19(30-25)21-9-6-12-34-21/h3-12,22H,2,15,29H2,1H3/t22-/m0/s1

InChI Key

RSYMQNGOPUATOP-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00742705

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

500.6

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

4.951

Distribution Coefficient, logD

4.951

Water Solubility, LogSw

-4.84

Polar Surface Area

93.919

Acid Dissociation Constant (pKa)

13.67

Base Dissociation Constant (pKb)

0.75

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

15.40

References: we are preparing a list of scientific research reports with 8003-0352 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-0352?
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What is the minimum amount of 8003-0352 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-0352
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-0352
  • 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 8003-0352 available by request