E999-1682 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2,4-dimethylbenzoyl)-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one

E999-1682 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2,4-dimethylbenzoyl)-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one
E999-1682 Screening compound: 1-[(2-chloro-6-fluorophenyl)methyl]-3-(2,4-dimethylbenzoyl)-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound E999-1682
1-[(2-chloro-6-fluorophenyl)methyl]-3-(2,4-dimethylbenzoyl)-7-methyl-1,4-dihydro-1,8-naphthyridin-4-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

E999-1682

Molecular Formula

C25H20ClFN2O2 (C25 H20 ClFN2 O2)

Compound Name

1-[(2-chloro-6-fluorophenyl)methyl]-3-(2,4-dimethylbenzoyl)-7-methyl-1,4-dihydro-1,8-naphthyridin-4-one

IUPAC name

1-[(2-chloro-6-fluorophenyl)methyl]-3-(24-dimethylbenzoyl)-7-methyl-14-dihydro-18-naphthyridin-4-one

SMILES

Cc(cc1)cc(C)c1C(C1=CN(Cc(c(F)ccc2)c2Cl)c2nc(C)ccc2C1=O)=O

InChI

InChI=1S/C25H20ClFN2O2/c1-14-7-9-17(15(2)11-14)23(30)20-13-29(12-19-21(26)5-4-6-22(19)27)25-18(24(20)31)10-8-16(3)28-25/h4-11,13H,12H2,1-3H3

InChI Key

WXPSHKBENOEXOM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27095616

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.346

Distribution Coefficient, logD

6.346

Water Solubility, LogSw

-6.12

Polar Surface Area

38.735

Acid Dissociation Constant (pKa)

26.18

Base Dissociation Constant (pKb)

-4.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

E999-1682 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Infections
  • Immune system
  • animal
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with E999-1682 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E999-1682?
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What is the minimum amount of E999-1682 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E999-1682
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E999-1682
  • 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 E999-1682 available by request