3814-0657 Screening compound: ethyl 4-(3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}propanamido)benzoate

3814-0657 Screening compound: ethyl 4-(3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}propanamido)benzoate
3814-0657 Screening compound: ethyl 4-(3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}propanamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3814-0657
ethyl 4-(3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}propanamido)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

3814-0657

Molecular Formula

C22H24N2O6 (C22 H24 N2 O6)

Compound Name

ethyl 4-(3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}propanamido)benzoate

IUPAC name

ethyl 4-(3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}propanamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CCC(Nc(cc1)ccc1C(OCC)=O)=O)=O)=O

InChI

InChI=1S/C22H24N2O6/c1-3-29-21(27)15-5-9-17(10-6-15)23-19(25)13-14-20(26)24-18-11-7-16(8-12-18)22(28)30-4-2/h5-12H,3-4,13-14H2,1-2H3,(H,23,25)(H,24,26)

InChI Key

SYTMPRAZVPDNFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02105450

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.521

Distribution Coefficient, logD

3.521

Water Solubility, LogSw

-3.47

Polar Surface Area

87.773

Acid Dissociation Constant (pKa)

10.76

Base Dissociation Constant (pKb)

-0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

3814-0657 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 3814-0657 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3814-0657?
Check Price and Availability of 3814-0657, 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 3814-0657 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3814-0657
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3814-0657
  • 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 3814-0657 available by request