2114-0468 Screening compound: 3-[(3-methoxyphenyl)carbamoyl]propanoic acid

2114-0468 Screening compound: 3-[(3-methoxyphenyl)carbamoyl]propanoic acid
2114-0468 Screening compound: 3-[(3-methoxyphenyl)carbamoyl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 2114-0468
3-[(3-methoxyphenyl)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

2114-0468

Molecular Formula

C11H13NO4 (C11 H13 NO4)

Compound Name

3-[(3-methoxyphenyl)carbamoyl]propanoic acid

IUPAC name

3-[(3-methoxyphenyl)carbamoyl]propanoic acid

SMILES

COc1cccc(NC(CCC(O)=O)=O)c1

InChI

InChI=1S/C11H13NO4/c1-16-9-4-2-3-8(7-9)12-10(13)5-6-11(14)15/h2-4,7H,5-6H2,1H3,(H,12,13)(H,14,15)

InChI Key

DLSAAWQLSTXCNZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00239114

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

223.23

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.856

Distribution Coefficient, logD

-2.093

Water Solubility, LogSw

-1.98

Polar Surface Area

59.315

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

2114-0468 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 2114-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2114-0468?
Check Price and Availability of 2114-0468, 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 2114-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2114-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2114-0468
  • 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 2114-0468 available by request