C151-0434 Screening compound: (2E,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]cyclohexan-1-one

C151-0434 Screening compound: (2E,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]cyclohexan-1-one
C151-0434 Screening compound: (2E,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]cyclohexan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0434
(2E,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]cyclohexan-1-one

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

C151-0434

Molecular Formula

C32H42O5 (C32 H42 O5)

Compound Name

(2E,6E)-2,6-bis[(4-butoxy-3-ethoxyphenyl)methylidene]cyclohexan-1-one

IUPAC name

(2E6E)-26-bis[(4-butoxy-3-ethoxyphenyl)methylidene]cyclohexan-1-one

SMILES

CCCCOc(ccc(/C=C(\CCC/C1=C\c(cc2)cc(OCC)c2OCCCC)/C1=O)c1)c1OCC

InChI

InChI=1S/C32H42O5/c1-5-9-18-36-28-16-14-24(22-30(28)34-7-3)20-26-12-11-13-27(32(26)33)21-25-15-17-29(37-19-10-6-2)31(23-25)35-8-4/h14-17,20-23H,5-13,18-19H2,1-4H3

InChI Key

UZBYBTJIEXLANP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722780

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.68

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.560

Distribution Coefficient, logD

7.560

Water Solubility, LogSw

-5.65

Polar Surface Area

42.463

Acid Dissociation Constant (pKa)

27.49

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.90

C151-0434 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C151-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0434?
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What is the minimum amount of C151-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0434
  • 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 C151-0434 available by request