Y041-4138 Screening compound: ethyl 4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate

Y041-4138 Screening compound: ethyl 4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate
Y041-4138 Screening compound: ethyl 4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-4138
ethyl 4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate

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

Y041-4138

Molecular Formula

C25H27N3O5 (C25 H27 N3 O5)

Compound Name

ethyl 4-[2-(3,4-dimethoxyphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate

IUPAC name

ethyl 4-[2-(34-dimethoxyphenyl)quinoline-4-carbonyl]piperazine-1-carboxylate

SMILES

CCOC(N(CC1)CCN1C(c1cc(-c(cc2)cc(OC)c2OC)nc2ccccc12)=O)=O

InChI

InChI=1S/C25H27N3O5/c1-4-33-25(30)28-13-11-27(12-14-28)24(29)19-16-21(26-20-8-6-5-7-18(19)20)17-9-10-22(31-2)23(15-17)32-3/h5-10,15-16H,4,11-14H2,1-3H3

InChI Key

NGWILXMBYASIRI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03652499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.820

Distribution Coefficient, logD

3.816

Water Solubility, LogSw

-3.87

Polar Surface Area

62.987

Acid Dissociation Constant (pKa)

28.74

Base Dissociation Constant (pKb)

5.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

Y041-4138 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 Y041-4138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-4138?
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What is the minimum amount of Y041-4138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-4138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-4138
  • 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 Y041-4138 available by request