1187-1462 Screening compound: (E)-3-(4-chlorophenyl)-1-mesityl-2-propen-1-one

1187-1462 Screening compound: (E)-3-(4-chlorophenyl)-1-mesityl-2-propen-1-one
1187-1462 Screening compound: (E)-3-(4-chlorophenyl)-1-mesityl-2-propen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1187-1462
(E)-3-(4-chlorophenyl)-1-mesityl-2-propen-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

1187-1462

Molecular Formula

C18H17ClO (C18 H17 ClO)

Compound Name

(E)-3-(4-chlorophenyl)-1-mesityl-2-propen-1-one

IUPAC name

(2E)-3-(4-chlorophenyl)-1-(246-trimethylphenyl)prop-2-en-1-one

SMILES

Cc1cc(C)c(C(/C=C/c(cc2)ccc2Cl)=O)c(C)c1

InChI

InChI=1S/C18H17ClO/c1-12-10-13(2)18(14(3)11-12)17(20)9-6-15-4-7-16(19)8-5-15/h4-11H,1-3H3

InChI Key

HFATULWAYTVGCW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00729388

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.79

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

5.972

Distribution Coefficient, logD

5.972

Water Solubility, LogSw

-6.57

Polar Surface Area

13.214

Acid Dissociation Constant (pKa)

27.26

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

1187-1462 in Drug Discovery

Included in Screening Libraries

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1187-1462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1187-1462?
Check Price and Availability of 1187-1462, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 1187-1462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1187-1462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1187-1462
  • 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 1187-1462 available by request