3335-1289 Screening compound: 3-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid

3335-1289 Screening compound: 3-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid
3335-1289 Screening compound: 3-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 3335-1289
3-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]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

3335-1289

Molecular Formula

C13H17NO5S (C13 H17 NO5 S)

Compound Name

3-{[3-(ethoxycarbonyl)-4,5-dimethylthiophen-2-yl]carbamoyl}propanoic acid

IUPAC name

3-{[3-(ethoxycarbonyl)-45-dimethylthiophen-2-yl]carbamoyl}propanoic acid

SMILES

CCOC(c1c(NC(CCC(O)=O)=O)sc(C)c1C)=O

InChI

InChI=1S/C13H17NO5S/c1-4-19-13(18)11-7(2)8(3)20-12(11)14-9(15)5-6-10(16)17/h4-6H2,1-3H3,(H,14,15)(H,16,17)

InChI Key

CEUBXXKPXQZBDU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00222779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.35

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

1.424

Distribution Coefficient, logD

-1.526

Water Solubility, LogSw

-1.79

Polar Surface Area

72.320

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-3.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

3335-1289 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Arginase Targeted Library (2009 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Male
  • Cardiovascular
Targets:
  • Others

References: we are preparing a list of scientific research reports with 3335-1289 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3335-1289?
Check Price and Availability of 3335-1289, 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 3335-1289 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3335-1289
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3335-1289
  • 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 3335-1289 available by request