8004-4744 Screening compound: methyl 3-[(2,5-dimethoxyphenyl)carbamoyl]propanoate

8004-4744 Screening compound: methyl 3-[(2,5-dimethoxyphenyl)carbamoyl]propanoate
8004-4744 Screening compound: methyl 3-[(2,5-dimethoxyphenyl)carbamoyl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8004-4744
methyl 3-[(2,5-dimethoxyphenyl)carbamoyl]propanoate

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

8004-4744

Molecular Formula

C13H17NO5 (C13 H17 NO5)

Compound Name

methyl 3-[(2,5-dimethoxyphenyl)carbamoyl]propanoate

IUPAC name

methyl 3-[(25-dimethoxyphenyl)carbamoyl]propanoate

SMILES

COC(CCC(Nc(cc(cc1)OC)c1OC)=O)=O

InChI

InChI=1S/C13H17NO5/c1-17-9-4-5-11(18-2)10(8-9)14-12(15)6-7-13(16)19-3/h4-5,8H,6-7H2,1-3H3,(H,14,15)

InChI Key

USNGIKCFYPOELH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00745858

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

267.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.034

Distribution Coefficient, logD

1.033

Water Solubility, LogSw

-2.02

Polar Surface Area

58.443

Acid Dissociation Constant (pKa)

10.03

Base Dissociation Constant (pKb)

1.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8004-4744 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Dark Chemical Matter Library (18430 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
Structure:
  • Pool

References: we are preparing a list of scientific research reports with 8004-4744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8004-4744?
Check Price and Availability of 8004-4744, 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 8004-4744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8004-4744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8004-4744
  • 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 8004-4744 available by request