8020-3797 Screening compound: 4-(4-bromophenyl)-2-oxo-6-(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)-1,2-dihydropyridine-3-carbonitrile

8020-3797 Screening compound: 4-(4-bromophenyl)-2-oxo-6-(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)-1,2-dihydropyridine-3-carbonitrile
8020-3797 Screening compound: 4-(4-bromophenyl)-2-oxo-6-(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)-1,2-dihydropyridine-3-carbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-3797
4-(4-bromophenyl)-2-oxo-6-(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)-1,2-dihydropyridine-3-carbonitrile

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

8020-3797

Molecular Formula

C28H16BrF3N4O (C28 H16 BrF3 N4 O)

Compound Name

4-(4-bromophenyl)-2-oxo-6-(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)-1,2-dihydropyridine-3-carbonitrile

IUPAC name

4-(4-bromophenyl)-2-oxo-6-(4-{[7-(trifluoromethyl)quinolin-4-yl]amino}phenyl)-12-dihydropyridine-3-carbonitrile

SMILES

N#CC(C(NC(c(cc1)ccc1Nc1ccnc2cc(C(F)(F)F)ccc12)=C1)=O)=C1c(cc1)ccc1Br

InChI

InChI=1S/C28H16BrF3N4O/c29-19-6-1-16(2-7-19)22-14-25(36-27(37)23(22)15-33)17-3-8-20(9-4-17)35-24-11-12-34-26-13-18(28(30,31)32)5-10-21(24)26/h1-14H,(H,34,35)(H,36,37)

InChI Key

JDOMJGDOYZZNOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD25975486

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

561.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

7.102

Distribution Coefficient, logD

5.010

Water Solubility, LogSw

-6.40

Polar Surface Area

58.963

Acid Dissociation Constant (pKa)

5.31

Base Dissociation Constant (pKb)

6.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.60

8020-3797 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8020-3797 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-3797?
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What is the minimum amount of 8020-3797 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-3797
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-3797
  • 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 8020-3797 available by request