C288-0113 Screening compound: ethyl 6-(4-fluorophenyl)-4-(furan-2-yl)-2-oxocyclohex-3-ene-1-carboxylate

C288-0113 Screening compound: ethyl 6-(4-fluorophenyl)-4-(furan-2-yl)-2-oxocyclohex-3-ene-1-carboxylate
C288-0113 Screening compound: ethyl 6-(4-fluorophenyl)-4-(furan-2-yl)-2-oxocyclohex-3-ene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C288-0113
ethyl 6-(4-fluorophenyl)-4-(furan-2-yl)-2-oxocyclohex-3-ene-1-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

C288-0113

Molecular Formula

C19H17FO4 (C19 H17 FO4)

Compound Name

ethyl 6-(4-fluorophenyl)-4-(furan-2-yl)-2-oxocyclohex-3-ene-1-carboxylate

IUPAC name

ethyl 6-(4-fluorophenyl)-4-(furan-2-yl)-2-oxocyclohex-3-ene-1-carboxylate

SMILES

CCOC(C(C(CC(c1ccco1)=C1)c(cc2)ccc2F)C1=O)=O

InChI

InChI=1S/C19H17FO4/c1-2-23-19(22)18-15(12-5-7-14(20)8-6-12)10-13(11-16(18)21)17-4-3-9-24-17/h3-9,11,15,18H,2,10H2,1H3

InChI Key

XECCUGFXZOZYLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

328.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.438

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.51

Polar Surface Area

42.467

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

26.30

C288-0113 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C288-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C288-0113?
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What is the minimum amount of C288-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C288-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C288-0113
  • 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 C288-0113 available by request