8016-8279 Screening compound: ethyl 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(1-pyrrolidinyl)-1,4-dihydro-3-quinolinecarboxylate

8016-8279 Screening compound: ethyl 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(1-pyrrolidinyl)-1,4-dihydro-3-quinolinecarboxylate
8016-8279 Screening compound: ethyl 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(1-pyrrolidinyl)-1,4-dihydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-8279
ethyl 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(1-pyrrolidinyl)-1,4-dihydro-3-quinolinecarboxylate

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

8016-8279

Molecular Formula

C27H26F2N4O4 (C27 H26 F2 N4 O4)

Compound Name

ethyl 1-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-6,8-difluoro-4-oxo-7-(1-pyrrolidinyl)-1,4-dihydro-3-quinolinecarboxylate

IUPAC name

ethyl 1-(15-dimethyl-3-oxo-2-phenyl-23-dihydro-1H-pyrazol-4-yl)-68-difluoro-4-oxo-7-(pyrrolidin-1-yl)-14-dihydroquinoline-3-carboxylate

SMILES

CCOC(C(C(c1cc(F)c2N3CCCC3)=O)=CN(C(C3=O)=C(C)N(C)N3c3ccccc3)c1c2F)=O

InChI

InChI=1S/C27H26F2N4O4/c1-4-37-27(36)19-15-32(22-16(2)30(3)33(26(22)35)17-10-6-5-7-11-17)23-18(25(19)34)14-20(28)24(21(23)29)31-12-8-9-13-31/h5-7,10-11,14-15H,4,8-9,12-13H2,1-3H3

InChI Key

AISCIRDLTQOWCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05859527

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

508.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.867

Distribution Coefficient, logD

2.867

Water Solubility, LogSw

-3.36

Polar Surface Area

60.345

Acid Dissociation Constant (pKa)

27.06

Base Dissociation Constant (pKb)

-1.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.63

8016-8279 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-8279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-8279?
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What is the minimum amount of 8016-8279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-8279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-8279
  • 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 8016-8279 available by request