1606-0082 Screening compound: 3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}propanoic acid

1606-0082 Screening compound: 3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}propanoic acid
1606-0082 Screening compound: 3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1606-0082
3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}propanoic 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

1606-0082

Molecular Formula

C13H15NO5 (C13 H15 NO5)

Compound Name

3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}propanoic acid

IUPAC name

3-{[4-(ethoxycarbonyl)phenyl]carbamoyl}propanoic acid

SMILES

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

InChI

InChI=1S/C13H15NO5/c1-2-19-13(18)9-3-5-10(6-4-9)14-11(15)7-8-12(16)17/h3-6H,2,7-8H2,1H3,(H,14,15)(H,16,17)

InChI Key

SOHDJPBMTCUKLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00099261

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.27

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.391

Distribution Coefficient, logD

-1.558

Water Solubility, LogSw

-2.06

Polar Surface Area

72.525

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-0.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

1606-0082 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 1606-0082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1606-0082?
Check Price and Availability of 1606-0082, 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 1606-0082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1606-0082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1606-0082
  • 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 1606-0082 available by request