Y030-3685 Screening compound: ethyl [(2-carbamoylphenyl)carbamoyl]formate

Y030-3685 Screening compound: ethyl [(2-carbamoylphenyl)carbamoyl]formate
Y030-3685 Screening compound: ethyl [(2-carbamoylphenyl)carbamoyl]formate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-3685
ethyl [(2-carbamoylphenyl)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

Y030-3685

Molecular Formula

C11H12N2O4 (C11 H12 N2 O4)

Compound Name

ethyl [(2-carbamoylphenyl)carbamoyl]formate

IUPAC name

ethyl [(2-carbamoylphenyl)carbamoyl]formate

SMILES

CCOC(C(Nc(cccc1)c1C(N)=O)=O)=O

InChI

InChI=1S/C11H12N2O4/c1-2-17-11(16)10(15)13-8-6-4-3-5-7(8)9(12)14/h3-6H,2H2,1H3,(H2,12,14)(H,13,15)

InChI Key

VFOVIHJJNPKXML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02006756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

236.23

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.578

Distribution Coefficient, logD

0.098

Water Solubility, LogSw

-2.40

Polar Surface Area

77.716

Acid Dissociation Constant (pKa)

7.09

Base Dissociation Constant (pKb)

1.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

Y030-3685 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y030-3685 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-3685?
Check Price and Availability of Y030-3685, 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 Y030-3685 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-3685
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-3685
  • 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 Y030-3685 available by request