3952-1140 Screening compound: 3-({2-[3-(acetyloxy)benzamido]phenyl}carbamoyl)phenyl acetate

3952-1140 Screening compound: 3-({2-[3-(acetyloxy)benzamido]phenyl}carbamoyl)phenyl acetate
3952-1140 Screening compound: 3-({2-[3-(acetyloxy)benzamido]phenyl}carbamoyl)phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3952-1140
3-({2-[3-(acetyloxy)benzamido]phenyl}carbamoyl)phenyl acetate

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

3952-1140

Molecular Formula

C24H20N2O6 (C24 H20 N2 O6)

Compound Name

3-({2-[3-(acetyloxy)benzamido]phenyl}carbamoyl)phenyl acetate

IUPAC name

3-({2-[3-(acetyloxy)benzamido]phenyl}carbamoyl)phenyl acetate

SMILES

CC(Oc1cccc(C(Nc(cccc2)c2NC(c2cc(OC(C)=O)ccc2)=O)=O)c1)=O

InChI

InChI=1S/C24H20N2O6/c1-15(27)31-19-9-5-7-17(13-19)23(29)25-21-11-3-4-12-22(21)26-24(30)18-8-6-10-20(14-18)32-16(2)28/h3-14H,1-2H3,(H,25,29)(H,26,30)

InChI Key

GRIHLDVOCZCCSC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01797568

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.568

Distribution Coefficient, logD

2.541

Water Solubility, LogSw

-3.05

Polar Surface Area

86.527

Acid Dissociation Constant (pKa)

8.59

Base Dissociation Constant (pKb)

-3.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

3952-1140 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 3952-1140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3952-1140?
Check Price and Availability of 3952-1140, 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 3952-1140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3952-1140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3952-1140
  • 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 3952-1140 available by request