8017-4204 Screening compound: 1-(2-chloro-4,5-difluorobenzoyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline

8017-4204 Screening compound: 1-(2-chloro-4,5-difluorobenzoyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline
8017-4204 Screening compound: 1-(2-chloro-4,5-difluorobenzoyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-4204
1-(2-chloro-4,5-difluorobenzoyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline

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

8017-4204

Molecular Formula

C18H16ClF2NO2 (C18 H16 ClF2 NO2)

Compound Name

1-(2-chloro-4,5-difluorobenzoyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroquinoline

IUPAC name

1-(2-chloro-45-difluorobenzoyl)-6-methoxy-2-methyl-1234-tetrahydroquinoline

SMILES

CC(CC1)N(C(c(cc(c(F)c2)F)c2Cl)=O)c(cc2)c1cc2OC

InChI

InChI=1S/C18H16ClF2NO2/c1-10-3-4-11-7-12(24-2)5-6-17(11)22(10)18(23)13-8-15(20)16(21)9-14(13)19/h5-10H,3-4H2,1-2H3/t10-/m0/s1

InChI Key

SZHQSKJFMPTKNX-JTQLQIEISA-N

MDL Number (MFCD)

MFCD06016698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.78

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.772

Distribution Coefficient, logD

4.772

Water Solubility, LogSw

-5.03

Polar Surface Area

22.034

Acid Dissociation Constant (pKa)

23.28

Base Dissociation Constant (pKb)

-1.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.80

8017-4204 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8017-4204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-4204?
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What is the minimum amount of 8017-4204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-4204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-4204
  • 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 8017-4204 available by request