4191-0953 Screening compound: ethyl {[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}formate

4191-0953 Screening compound: ethyl {[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}formate
4191-0953 Screening compound: ethyl {[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}formate alternative view

Chemical Structure Depiction of ChemDiv screening compound 4191-0953
ethyl {[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}formate

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

4191-0953

Molecular Formula

C14H19NO5 (C14 H19 NO5)

Compound Name

ethyl {[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}formate

IUPAC name

ethyl {[2-(34-dimethoxyphenyl)ethyl]carbamoyl}formate

SMILES

CCOC(C(NCCc(cc1)cc(OC)c1OC)=O)=O

InChI

InChI=1S/C14H19NO5/c1-4-20-14(17)13(16)15-8-7-10-5-6-11(18-2)12(9-10)19-3/h5-6,9H,4,7-8H2,1-3H3,(H,15,16)

InChI Key

QZQCZJGGHQMDTC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00894792

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.931

Distribution Coefficient, logD

0.931

Water Solubility, LogSw

-2.13

Polar Surface Area

60.779

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.90

4191-0953 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with 4191-0953 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4191-0953?
Check Price and Availability of 4191-0953, 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 4191-0953 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4191-0953
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4191-0953
  • 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 4191-0953 available by request