E844-1818 Screening compound: ethyl 4-(2-{5-benzyl-8-fluoro-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}acetamido)benzoate

E844-1818 Screening compound: ethyl 4-(2-{5-benzyl-8-fluoro-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}acetamido)benzoate
E844-1818 Screening compound: ethyl 4-(2-{5-benzyl-8-fluoro-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E844-1818
ethyl 4-(2-{5-benzyl-8-fluoro-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}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

E844-1818

Molecular Formula

C28H23FN4O4 (C28 H23 FN4 O4)

Compound Name

ethyl 4-(2-{5-benzyl-8-fluoro-3-oxo-2H,3H,5H-pyrazolo[4,3-c]quinolin-2-yl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{5-benzyl-8-fluoro-3-oxo-2H3H5H-pyrazolo[43-c]quinolin-2-yl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN1N=C2c(cc(cc3)F)c3N(Cc3ccccc3)C=C2C1=O)=O)=O

InChI

InChI=1S/C28H23FN4O4/c1-2-37-28(36)19-8-11-21(12-9-19)30-25(34)17-33-27(35)23-16-32(15-18-6-4-3-5-7-18)24-13-10-20(29)14-22(24)26(23)31-33/h3-14,16H,2,15,17H2,1H3,(H,30,34)

InChI Key

RDECNROZPWKHSY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920975

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.152

Distribution Coefficient, logD

4.152

Water Solubility, LogSw

-4.18

Polar Surface Area

73.407

Acid Dissociation Constant (pKa)

11.67

Base Dissociation Constant (pKb)

-2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

E844-1818 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 E844-1818 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E844-1818?
Check Price and Availability of E844-1818, 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 E844-1818 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E844-1818
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E844-1818
  • 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 E844-1818 available by request