C288-0082 Screening compound: ethyl 4-(3-methoxyphenyl)-2-oxo-6-[4-(propan-2-yl)phenyl]cyclohex-3-ene-1-carboxylate

C288-0082 Screening compound: ethyl 4-(3-methoxyphenyl)-2-oxo-6-[4-(propan-2-yl)phenyl]cyclohex-3-ene-1-carboxylate
C288-0082 Screening compound: ethyl 4-(3-methoxyphenyl)-2-oxo-6-[4-(propan-2-yl)phenyl]cyclohex-3-ene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C288-0082
ethyl 4-(3-methoxyphenyl)-2-oxo-6-[4-(propan-2-yl)phenyl]cyclohex-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

C288-0082

Molecular Formula

C25H28O4 (C25 H28 O4)

Compound Name

ethyl 4-(3-methoxyphenyl)-2-oxo-6-[4-(propan-2-yl)phenyl]cyclohex-3-ene-1-carboxylate

IUPAC name

ethyl 4-(3-methoxyphenyl)-2-oxo-6-[4-(propan-2-yl)phenyl]cyclohex-3-ene-1-carboxylate

SMILES

CCOC(C(C(CC(c1cc(OC)ccc1)=C1)c2ccc(C(C)C)cc2)C1=O)=O

InChI

InChI=1S/C25H28O4/c1-5-29-25(27)24-22(18-11-9-17(10-12-18)16(2)3)14-20(15-23(24)26)19-7-6-8-21(13-19)28-4/h6-13,15-16,22,24H,5,14H2,1-4H3

InChI Key

PFHATXYHMZUSRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04414888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.669

Distribution Coefficient, logD

5.669

Water Solubility, LogSw

-5.41

Polar Surface Area

41.433

Acid Dissociation Constant (pKa)

10.44

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.00

C288-0082 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C288-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C288-0082?
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What is the minimum amount of C288-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C288-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C288-0082
  • 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 C288-0082 available by request