8009-5852 Screening compound: 2-phenylethyl N-(2-benzoyl-3-oxo-1,3-diphenylpropyl)carbamate

8009-5852 Screening compound: 2-phenylethyl N-(2-benzoyl-3-oxo-1,3-diphenylpropyl)carbamate
8009-5852 Screening compound: 2-phenylethyl N-(2-benzoyl-3-oxo-1,3-diphenylpropyl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5852
2-phenylethyl N-(2-benzoyl-3-oxo-1,3-diphenylpropyl)carbamate

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

8009-5852

Molecular Formula

C31H27NO4 (C31 H27 NO4)

Compound Name

2-phenylethyl N-(2-benzoyl-3-oxo-1,3-diphenylpropyl)carbamate

IUPAC name

2-phenylethyl N-(2-benzoyl-3-oxo-13-diphenylpropyl)carbamate

SMILES

O=C(C(C(c1ccccc1)NC(OCCc1ccccc1)=O)C(c1ccccc1)=O)c1ccccc1

InChI

InChI=1S/C31H27NO4/c33-29(25-17-9-3-10-18-25)27(30(34)26-19-11-4-12-20-26)28(24-15-7-2-8-16-24)32-31(35)36-22-21-23-13-5-1-6-14-23/h1-20,27-28H,21-22H2,(H,32,35)/t28-/m1/s1

InChI Key

CRBVARJCQHMYHF-MUUNZHRXSA-N

MDL Number (MFCD)

MFCD01822022

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.575

Distribution Coefficient, logD

6.537

Water Solubility, LogSw

-6.14

Polar Surface Area

59.313

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

-3.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

12.90

8009-5852 in Drug Discovery

Included in Screening Libraries

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

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8009-5852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5852?
Check Price and Availability of 8009-5852, 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 8009-5852 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5852
  • 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 8009-5852 available by request