E999-1194 Screening compound: 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-[(oxolan-2-yl)methyl]acetamide

E999-1194 Screening compound: 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-[(oxolan-2-yl)methyl]acetamide
E999-1194 Screening compound: 2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-[(oxolan-2-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E999-1194
2-[3-(3-chlorobenzoyl)-7-methyl-4-oxo-1,4-dihydro-1,8-naphthyridin-1-yl]-N-[(oxolan-2-yl)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

E999-1194

Molecular Formula

C23H22ClN3O4 (C23 H22 ClN3 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)nc(N(CC(NCC2OCCC2)=O)C=C2C(c3cccc(Cl)c3)=O)c1C2=O

InChI

InChI=1S/C23H22ClN3O4/c1-14-7-8-18-22(30)19(21(29)15-4-2-5-16(24)10-15)12-27(23(18)26-14)13-20(28)25-11-17-6-3-9-31-17/h2,4-5,7-8,10,12,17H,3,6,9,11,13H2,1H3,(H,25,28)/t17-/m1/s1

InChI Key

GYEPAHDFOPVSJF-QGZVFWFLSA-N

MDL Number (MFCD)

MFCD14937298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-3.76

Polar Surface Area

71.861

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

E999-1194 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E999-1194 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E999-1194?
Check Price and Availability of E999-1194, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of E999-1194 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E999-1194
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E999-1194
  • 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 E999-1194 available by request