8017-6898 Screening compound: ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate

8017-6898 Screening compound: ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate
8017-6898 Screening compound: ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-(1H-pyrrol-1-yl)-4H-pyran-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6898
ethyl 5-cyano-4-(4-methoxyphenyl)-2-methyl-6-(1H-pyrrol-1-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

8017-6898

Molecular Formula

C21H20N2O4 (C21 H20 N2 O4)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C1c(cc2)ccc2OC)=C(C)OC(n2cccc2)=C1C#N)=O

InChI

InChI=1S/C21H20N2O4/c1-4-26-21(24)18-14(2)27-20(23-11-5-6-12-23)17(13-22)19(18)15-7-9-16(25-3)10-8-15/h5-12,19H,4H2,1-3H3/t19-/m1/s1

InChI Key

IUWPENPXKFOIPH-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06617430

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.725

Distribution Coefficient, logD

3.725

Water Solubility, LogSw

-4.09

Polar Surface Area

57.772

Acid Dissociation Constant (pKa)

24.26

Base Dissociation Constant (pKb)

-6.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 8017-6898 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6898?
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What is the minimum amount of 8017-6898 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6898
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6898
  • 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 8017-6898 available by request