Y050-3431 Screening compound: 2-{[4-(2-methoxyphenyl)piperazino]carbonyl}-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-1-one

Y050-3431 Screening compound: 2-{[4-(2-methoxyphenyl)piperazino]carbonyl}-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-1-one
Y050-3431 Screening compound: 2-{[4-(2-methoxyphenyl)piperazino]carbonyl}-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y050-3431
2-{[4-(2-methoxyphenyl)piperazino]carbonyl}-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-1-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

Y050-3431

Molecular Formula

C24H25N3O3 (C24 H25 N3 O3)

Compound Name

2-{[4-(2-methoxyphenyl)piperazino]carbonyl}-6,7-dihydro-1H,5H-pyrido[3,2,1-ij]quinolin-1-one

IUPAC name

3-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-1-azatricyclo[7.3.1.0^{513}]trideca-2579(13)-tetraen-4-one

SMILES

COc(cccc1)c1N(CC1)CCN1C(C1=CN(CCCc2ccc3)c2c3C1=O)=O

InChI

InChI=1S/C24H25N3O3/c1-30-21-10-3-2-9-20(21)25-12-14-26(15-13-25)24(29)19-16-27-11-5-7-17-6-4-8-18(22(17)27)23(19)28/h2-4,6,8-10,16H,5,7,11-15H2,1H3

InChI Key

LYGNCNLRIXRVFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD11844051

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.539

Distribution Coefficient, logD

2.539

Water Solubility, LogSw

-2.69

Polar Surface Area

44.121

Acid Dissociation Constant (pKa)

26.00

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y050-3431 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 Y050-3431 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y050-3431?
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What is the minimum amount of Y050-3431 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y050-3431
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y050-3431
  • 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 Y050-3431 available by request