3289-8654 Screening compound: 4-{[3-(tert-butylcarbamoyl)phenyl]carbamoyl}phenyl acetate

3289-8654 Screening compound: 4-{[3-(tert-butylcarbamoyl)phenyl]carbamoyl}phenyl acetate
3289-8654 Screening compound: 4-{[3-(tert-butylcarbamoyl)phenyl]carbamoyl}phenyl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3289-8654
4-{[3-(tert-butylcarbamoyl)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

3289-8654

Molecular Formula

C20H22N2O4 (C20 H22 N2 O4)

Compound Name

4-{[3-(tert-butylcarbamoyl)phenyl]carbamoyl}phenyl acetate

IUPAC name

4-{[3-(tert-butylcarbamoyl)phenyl]carbamoyl}phenyl acetate

SMILES

CC(C)(C)NC(c1cccc(NC(c(cc2)ccc2OC(C)=O)=O)c1)=O

InChI

InChI=1S/C20H22N2O4/c1-13(23)26-17-10-8-14(9-11-17)18(24)21-16-7-5-6-15(12-16)19(25)22-20(2,3)4/h5-12H,1-4H3,(H,21,24)(H,22,25)

InChI Key

LOXVWIQDQQXLKB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01186272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.071

Distribution Coefficient, logD

3.071

Water Solubility, LogSw

-3.49

Polar Surface Area

67.589

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3289-8654 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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 3289-8654 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3289-8654?
Check Price and Availability of 3289-8654, 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 3289-8654 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3289-8654
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3289-8654
  • 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 3289-8654 available by request