5555-0126 Screening compound: 4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}butanoic acid

5555-0126 Screening compound: 4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}butanoic acid
5555-0126 Screening compound: 4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5555-0126
4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}butanoic acid

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

5555-0126

Molecular Formula

C14H17NO5 (C14 H17 NO5)

Compound Name

4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}butanoic acid

IUPAC name

4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}butanoic acid

SMILES

CCOC(c(cc1)ccc1NC(CCCC(O)=O)=O)=O

InChI

InChI=1S/C14H17NO5/c1-2-20-14(19)10-6-8-11(9-7-10)15-12(16)4-3-5-13(17)18/h6-9H,2-5H2,1H3,(H,15,16)(H,17,18)

InChI Key

YEPCOXMLVUHOEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00029885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.29

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.432

Distribution Coefficient, logD

-1.166

Water Solubility, LogSw

-2.04

Polar Surface Area

72.525

Acid Dissociation Constant (pKa)

4.80

Base Dissociation Constant (pKb)

-1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

5555-0126 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 5555-0126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5555-0126?
Check Price and Availability of 5555-0126, 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 5555-0126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5555-0126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5555-0126
  • 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 5555-0126 available by request