E844-1767 Screening compound: 2-[2-(azepan-1-yl)-2-oxoethyl]-8-fluoro-5-[(3-methylphenyl)methyl]-2H,3H,5H-pyrazolo[4,3-c]quinolin-3-one

E844-1767 Screening compound: 2-[2-(azepan-1-yl)-2-oxoethyl]-8-fluoro-5-[(3-methylphenyl)methyl]-2H,3H,5H-pyrazolo[4,3-c]quinolin-3-one
E844-1767 Screening compound: 2-[2-(azepan-1-yl)-2-oxoethyl]-8-fluoro-5-[(3-methylphenyl)methyl]-2H,3H,5H-pyrazolo[4,3-c]quinolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E844-1767
2-[2-(azepan-1-yl)-2-oxoethyl]-8-fluoro-5-[(3-methylphenyl)methyl]-2H,3H,5H-pyrazolo[4,3-c]quinolin-3-one

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

E844-1767

Molecular Formula

C26H27FN4O2 (C26 H27 FN4 O2)

Compound Name

2-[2-(azepan-1-yl)-2-oxoethyl]-8-fluoro-5-[(3-methylphenyl)methyl]-2H,3H,5H-pyrazolo[4,3-c]quinolin-3-one

IUPAC name

2-[2-(azepan-1-yl)-2-oxoethyl]-8-fluoro-5-[(3-methylphenyl)methyl]-2H3H5H-pyrazolo[43-c]quinolin-3-one

SMILES

Cc1cccc(CN(C=C23)c(ccc(F)c4)c4C3=NN(CC(N3CCCCCC3)=O)C2=O)c1

InChI

InChI=1S/C26H27FN4O2/c1-18-7-6-8-19(13-18)15-30-16-22-25(21-14-20(27)9-10-23(21)30)28-31(26(22)33)17-24(32)29-11-4-2-3-5-12-29/h6-10,13-14,16H,2-5,11-12,15,17H2,1H3

InChI Key

CQSDMIDPDVBUCV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14920941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.643

Distribution Coefficient, logD

3.643

Water Solubility, LogSw

-3.88

Polar Surface Area

46.227

Acid Dissociation Constant (pKa)

18.05

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

E844-1767 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 E844-1767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E844-1767?
Check Price and Availability of E844-1767, 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 E844-1767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E844-1767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E844-1767
  • 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 E844-1767 available by request