C151-0178 Screening compound: (3Z,5E)-1-benzyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylidene]piperidin-4-one

C151-0178 Screening compound: (3Z,5E)-1-benzyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylidene]piperidin-4-one
C151-0178 Screening compound: (3Z,5E)-1-benzyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylidene]piperidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0178
(3Z,5E)-1-benzyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylidene]piperidin-4-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

C151-0178

Molecular Formula

C32H35NO7 (C32 H35 NO7)

Compound Name

(3Z,5E)-1-benzyl-3,5-bis[(2,3,4-trimethoxyphenyl)methylidene]piperidin-4-one

IUPAC name

(3Z5E)-1-benzyl-35-bis[(234-trimethoxyphenyl)methylidene]piperidin-4-one

SMILES

COc(ccc(/C=C(\CN(Cc1ccccc1)C/C1=C/c(ccc(OC)c2OC)c2OC)/C1=O)c1OC)c1OC

InChI

InChI=1S/C32H35NO7/c1-35-26-14-12-22(29(37-3)31(26)39-5)16-24-19-33(18-21-10-8-7-9-11-21)20-25(28(24)34)17-23-13-15-27(36-2)32(40-6)30(23)38-4/h7-17H,18-20H2,1-6H3

InChI Key

FDQKWGKXCBLENM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03828934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

545.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.257

Distribution Coefficient, logD

5.257

Water Solubility, LogSw

-5.19

Polar Surface Area

62.570

Acid Dissociation Constant (pKa)

28.72

Base Dissociation Constant (pKb)

2.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.10

C151-0178 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 C151-0178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0178?
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What is the minimum amount of C151-0178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0178
  • 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 C151-0178 available by request