C151-0495 Screening compound: (2E)-2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one

C151-0495 Screening compound: (2E)-2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one
C151-0495 Screening compound: (2E)-2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C151-0495
(2E)-2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1,2,3,4-tetrahydronaphthalen-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

C151-0495

Molecular Formula

C23H21NO (C23 H21 NO)

Compound Name

(2E)-2-[(2,5-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1,2,3,4-tetrahydronaphthalen-1-one

IUPAC name

(2E)-2-[(25-dimethyl-1-phenyl-1H-pyrrol-3-yl)methylidene]-1234-tetrahydronaphthalen-1-one

SMILES

Cc1cc(/C=C(\CCc2c3cccc2)/C3=O)c(C)n1-c1ccccc1

InChI

InChI=1S/C23H21NO/c1-16-14-20(17(2)24(16)21-9-4-3-5-10-21)15-19-13-12-18-8-6-7-11-22(18)23(19)25/h3-11,14-15H,12-13H2,1-2H3

InChI Key

OWSDSLMFNILWNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722811

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.43

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.085

Distribution Coefficient, logD

5.085

Water Solubility, LogSw

-4.95

Polar Surface Area

15.699

Acid Dissociation Constant (pKa)

22.34

Base Dissociation Constant (pKb)

-3.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C151-0495 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 C151-0495 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C151-0495?
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What is the minimum amount of C151-0495 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C151-0495
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C151-0495
  • 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 C151-0495 available by request