1512-0113 Screening compound: 3-(2,5-dimethoxyphenyl)propanoic acid

1512-0113 Screening compound: 3-(2,5-dimethoxyphenyl)propanoic acid
1512-0113 Screening compound: 3-(2,5-dimethoxyphenyl)propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 1512-0113
3-(2,5-dimethoxyphenyl)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

1512-0113

Molecular Formula

C11H14O4 (C11 H14 O4)

Compound Name

3-(2,5-dimethoxyphenyl)propanoic acid

IUPAC name

3-(25-dimethoxyphenyl)propanoic acid

SMILES

COc(cc1)cc(CCC(O)=O)c1OC

InChI

InChI=1S/C11H14O4/c1-14-9-4-5-10(15-2)8(7-9)3-6-11(12)13/h4-5,7H,3,6H2,1-2H3,(H,12,13)

InChI Key

JENQUCZZZGYHRW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00060325

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.23

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.920

Distribution Coefficient, logD

-0.881

Water Solubility, LogSw

-2.20

Polar Surface Area

43.796

Acid Dissociation Constant (pKa)

4.60

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.36

1512-0113 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

STING Agonist Library (5895 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 1512-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1512-0113?
Check Price and Availability of 1512-0113, 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 1512-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1512-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1512-0113
  • 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 1512-0113 available by request