6521-0002 Screening compound: 4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-2-methylbutanoic acid

6521-0002 Screening compound: 4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-2-methylbutanoic acid
6521-0002 Screening compound: 4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-2-methylbutanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6521-0002
4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-2-methylbutanoic 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

6521-0002

Molecular Formula

C15H19NO5 (C15 H19 NO5)

Compound Name

4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-2-methylbutanoic acid

IUPAC name

4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-2-methylbutanoic acid

SMILES

CCOC(c(cc1)ccc1NC(CCC(C)C(O)=O)=O)=O

InChI

InChI=1S/C15H19NO5/c1-3-21-15(20)11-5-7-12(8-6-11)16-13(17)9-4-10(2)14(18)19/h5-8,10H,3-4,9H2,1-2H3,(H,16,17)(H,18,19)/t10-/m0/s1

InChI Key

FAWIGLUXZXBRNI-JTQLQIEISA-N

MDL Number (MFCD)

MFCD04089915

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.32

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

2.139

Distribution Coefficient, logD

-0.222

Water Solubility, LogSw

-2.71

Polar Surface Area

72.550

Acid Dissociation Constant (pKa)

5.04

Base Dissociation Constant (pKb)

-1.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

6521-0002 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 6521-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6521-0002?
Check Price and Availability of 6521-0002, 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 6521-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6521-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6521-0002
  • 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 6521-0002 available by request