L874-0039 Screening compound: ethyl 2-{2-[(2-methylquinazolin-4-yl)oxy]acetamido}benzoate

L874-0039 Screening compound: ethyl 2-{2-[(2-methylquinazolin-4-yl)oxy]acetamido}benzoate
L874-0039 Screening compound: ethyl 2-{2-[(2-methylquinazolin-4-yl)oxy]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound L874-0039
ethyl 2-{2-[(2-methylquinazolin-4-yl)oxy]acetamido}benzoate

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

L874-0039

Molecular Formula

C20H19N3O4 (C20 H19 N3 O4)

Compound Name

ethyl 2-{2-[(2-methylquinazolin-4-yl)oxy]acetamido}benzoate

IUPAC name

ethyl 2-{2-[(2-methylquinazolin-4-yl)oxy]acetamido}benzoate

SMILES

CCOC(c(cccc1)c1NC(COc1nc(C)nc2ccccc12)=O)=O

InChI

InChI=1S/C20H19N3O4/c1-3-26-20(25)15-9-5-7-11-17(15)23-18(24)12-27-19-14-8-4-6-10-16(14)21-13(2)22-19/h4-11H,3,12H2,1-2H3,(H,23,24)

InChI Key

VVIUHUDGDOJUMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15135890

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.390

Distribution Coefficient, logD

3.375

Water Solubility, LogSw

-3.59

Polar Surface Area

69.328

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

3.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

L874-0039 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L874-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L874-0039?
Check Price and Availability of L874-0039, 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 L874-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L874-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L874-0039
  • 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 L874-0039 available by request