E999-0067 Screening compound: 2-(3-benzoyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide

E999-0067 Screening compound: 2-(3-benzoyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
E999-0067 Screening compound: 2-(3-benzoyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E999-0067
2-(3-benzoyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl)-N-[(2-chlorophenyl)methyl]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

E999-0067

Molecular Formula

C25H20ClN3O3 (C25 H20 ClN3 O3)

Compound Name

2-(3-benzoyl-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide

IUPAC name

2-(3-benzoyl-7-methyl-4-oxo-14-dihydro-18-naphthyridin-1-yl)-N-[(2-chlorophenyl)methyl]acetamide

SMILES

Cc1ccc(C(C(C(c2ccccc2)=O)=CN2CC(NCc(cccc3)c3Cl)=O)=O)c2n1

InChI

InChI=1S/C25H20ClN3O3/c1-16-11-12-19-24(32)20(23(31)17-7-3-2-4-8-17)14-29(25(19)28-16)15-22(30)27-13-18-9-5-6-10-21(18)26/h2-12,14H,13,15H2,1H3,(H,27,30)

InChI Key

KLTCUSNIBRYFSZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14936929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.9

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.726

Distribution Coefficient, logD

4.726

Water Solubility, LogSw

-4.78

Polar Surface Area

63.206

Acid Dissociation Constant (pKa)

13.28

Base Dissociation Constant (pKb)

-2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.00

E999-0067 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E999-0067 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E999-0067?
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What is the minimum amount of E999-0067 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E999-0067
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E999-0067
  • 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 E999-0067 available by request