J099-0079 Screening compound: 5-{[4-(4-methoxyphenyl)piperazino]carbonyl}-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one

J099-0079 Screening compound: 5-{[4-(4-methoxyphenyl)piperazino]carbonyl}-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one
J099-0079 Screening compound: 5-{[4-(4-methoxyphenyl)piperazino]carbonyl}-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J099-0079
5-{[4-(4-methoxyphenyl)piperazino]carbonyl}-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-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

J099-0079

Molecular Formula

C23H23N3O3 (C23 H23 N3 O3)

Compound Name

5-{[4-(4-methoxyphenyl)piperazino]carbonyl}-1,2-dihydro-6H-pyrrolo[3,2,1-ij]quinolin-6-one

IUPAC name

10-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-azatricyclo[6.3.1.0^{412}]dodeca-468(12)10-tetraen-9-one

SMILES

COc(cc1)ccc1N(CC1)CCN1C(C1=CN(CCc2ccc3)c2c3C1=O)=O

InChI

InChI=1S/C23H23N3O3/c1-29-18-7-5-17(6-8-18)24-11-13-25(14-12-24)23(28)20-15-26-10-9-16-3-2-4-19(21(16)26)22(20)27/h2-8,15H,9-14H2,1H3

InChI Key

REOMJJCCVPQNFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15080956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.670

Distribution Coefficient, logD

2.670

Water Solubility, LogSw

-3.12

Polar Surface Area

44.701

Acid Dissociation Constant (pKa)

26.03

Base Dissociation Constant (pKb)

3.52

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with J099-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J099-0079?
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What is the minimum amount of J099-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J099-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J099-0079
  • 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 J099-0079 available by request