E999-1173 Screening compound: 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,5-difluorophenyl)acetamide

E999-1173 Screening compound: 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,5-difluorophenyl)acetamide
E999-1173 Screening compound: 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,5-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E999-1173
2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,5-difluorophenyl)acetamide

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

E999-1173

Molecular Formula

C24H16ClF2N3O3 (C24 H16 ClF2 N3 O3)

Compound Name

2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-(2,5-difluorophenyl)acetamide

IUPAC name

2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl]-N-(25-difluorophenyl)acetamide

SMILES

Cc(cc1)nc(N(CC(Nc(cc(cc2)F)c2F)=O)C=C2C(c3cccc(Cl)c3)=O)c1C2=O

InChI

InChI=1S/C24H16ClF2N3O3/c1-13-5-7-17-23(33)18(22(32)14-3-2-4-15(25)9-14)11-30(24(17)28-13)12-21(31)29-20-10-16(26)6-8-19(20)27/h2-11H,12H2,1H3,(H,29,31)

InChI Key

KZCSACJHWGSAIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14937291

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.86

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.354

Distribution Coefficient, logD

5.344

Water Solubility, LogSw

-5.85

Polar Surface Area

61.186

Acid Dissociation Constant (pKa)

9.03

Base Dissociation Constant (pKb)

-1.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.30

E999-1173 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E999-1173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E999-1173?
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What is the minimum amount of E999-1173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E999-1173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E999-1173
  • 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 E999-1173 available by request