8017-7888 Screening compound: methyl 2-{4-[(2-quinolylcarbonyl)amino]phenoxy}acetate

8017-7888 Screening compound: methyl 2-{4-[(2-quinolylcarbonyl)amino]phenoxy}acetate
8017-7888 Screening compound: methyl 2-{4-[(2-quinolylcarbonyl)amino]phenoxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-7888
methyl 2-{4-[(2-quinolylcarbonyl)amino]phenoxy}acetate

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

8017-7888

Molecular Formula

C19H16N2O4 (C19 H16 N2 O4)

Compound Name

methyl 2-{4-[(2-quinolylcarbonyl)amino]phenoxy}acetate

IUPAC name

methyl 2-[4-(quinoline-2-amido)phenoxy]acetate

SMILES

COC(COc(cc1)ccc1NC(c1nc2ccccc2cc1)=O)=O

InChI

InChI=1S/C19H16N2O4/c1-24-18(22)12-25-15-9-7-14(8-10-15)20-19(23)17-11-6-13-4-2-3-5-16(13)21-17/h2-11H,12H2,1H3,(H,20,23)

InChI Key

LZNZJHUJSYPJCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06618225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.35

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.810

Distribution Coefficient, logD

2.810

Water Solubility, LogSw

-3.58

Polar Surface Area

59.738

Acid Dissociation Constant (pKa)

10.88

Base Dissociation Constant (pKb)

0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.53

8017-7888 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 8017-7888 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-7888?
Check Price and Availability of 8017-7888, 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 8017-7888 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-7888
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-7888
  • 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 8017-7888 available by request