3814-0453 Screening compound: propyl 4-(4-{[4-(propoxycarbonyl)phenyl]carbamoyl}benzamido)benzoate

3814-0453 Screening compound: propyl 4-(4-{[4-(propoxycarbonyl)phenyl]carbamoyl}benzamido)benzoate
3814-0453 Screening compound: propyl 4-(4-{[4-(propoxycarbonyl)phenyl]carbamoyl}benzamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3814-0453
propyl 4-(4-{[4-(propoxycarbonyl)phenyl]carbamoyl}benzamido)benzoate

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

3814-0453

Molecular Formula

C28H28N2O6 (C28 H28 N2 O6)

Compound Name

propyl 4-(4-{[4-(propoxycarbonyl)phenyl]carbamoyl}benzamido)benzoate

IUPAC name

propyl 4-(4-{[4-(propoxycarbonyl)phenyl]carbamoyl}benzamido)benzoate

SMILES

CCCOC(c(cc1)ccc1NC(c(cc1)ccc1C(Nc(cc1)ccc1C(OCCC)=O)=O)=O)=O

InChI

InChI=1S/C28H28N2O6/c1-3-17-35-27(33)21-9-13-23(14-10-21)29-25(31)19-5-7-20(8-6-19)26(32)30-24-15-11-22(12-16-24)28(34)36-18-4-2/h5-16H,3-4,17-18H2,1-2H3,(H,29,31)(H,30,32)

InChI Key

OHTWMJUEQGQVIG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01212598

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.54

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.078

Distribution Coefficient, logD

6.074

Water Solubility, LogSw

-5.64

Polar Surface Area

88.516

Acid Dissociation Constant (pKa)

9.39

Base Dissociation Constant (pKb)

-4.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

3814-0453 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3814-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3814-0453?
Check Price and Availability of 3814-0453, 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 3814-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3814-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3814-0453
  • 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 3814-0453 available by request