8017-7959 Screening compound: ethyl 5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-4H-pyran-3-carboxylate

8017-7959 Screening compound: ethyl 5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-4H-pyran-3-carboxylate
8017-7959 Screening compound: ethyl 5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7959
ethyl 5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-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

8017-7959

Molecular Formula

C18H16N2O3S (C18 H16 N2 O3 S)

Compound Name

ethyl 5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-4H-pyran-3-carboxylate

IUPAC name

ethyl 5-cyano-2-methyl-6-(1H-pyrrol-1-yl)-4-(thiophen-2-yl)-4H-pyran-3-carboxylate

SMILES

CCOC(C(C1c2cccs2)=C(C)OC(n2cccc2)=C1C#N)=O

InChI

InChI=1S/C18H16N2O3S/c1-3-22-18(21)15-12(2)23-17(20-8-4-5-9-20)13(11-19)16(15)14-7-6-10-24-14/h4-10,16H,3H2,1-2H3/t16-/m0/s1

InChI Key

UIPLHCZBLVEWDY-INIZCTEOSA-N

MDL Number (MFCD)

MFCD06618291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.447

Distribution Coefficient, logD

3.447

Water Solubility, LogSw

-3.56

Polar Surface Area

51.247

Acid Dissociation Constant (pKa)

28.69

Base Dissociation Constant (pKb)

-6.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with 8017-7959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7959?
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What is the minimum amount of 8017-7959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7959
  • 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 8017-7959 available by request