Y032-4642 Screening compound: N-{4-[3,4-dihydro-1(2H)-quinolinylsulfonyl]phenyl}-N,N-diethyltetrahydro-1,4(2H)-pyridinedicarboxamide

Y032-4642 Screening compound: N-{4-[3,4-dihydro-1(2H)-quinolinylsulfonyl]phenyl}-N,N-diethyltetrahydro-1,4(2H)-pyridinedicarboxamide
Y032-4642 Screening compound: N-{4-[3,4-dihydro-1(2H)-quinolinylsulfonyl]phenyl}-N,N-diethyltetrahydro-1,4(2H)-pyridinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4642
N-{4-[3,4-dihydro-1(2H)-quinolinylsulfonyl]phenyl}-N,N-diethyltetrahydro-1,4(2H)-pyridinedicarboxamide

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

Y032-4642

Molecular Formula

C26H34N4O4S (C26 H34 N4 O4 S)

Compound Name

N-{4-[3,4-dihydro-1(2H)-quinolinylsulfonyl]phenyl}-N,N-diethyltetrahydro-1,4(2H)-pyridinedicarboxamide

IUPAC name

N1N1-diethyl-N4-[4-(1234-tetrahydroquinoline-1-sulfonyl)phenyl]piperidine-14-dicarboxamide

SMILES

CCN(CC)C(N(CC1)CCC1C(Nc(cc1)ccc1S(N(CCC1)c2c1cccc2)(=O)=O)=O)=O

InChI

InChI=1S/C26H34N4O4S/c1-3-28(4-2)26(32)29-18-15-21(16-19-29)25(31)27-22-11-13-23(14-12-22)35(33,34)30-17-7-9-20-8-5-6-10-24(20)30/h5-6,8,10-14,21H,3-4,7,9,15-19H2,1-2H3,(H,27,31)

InChI Key

NLWVCNDIGZGSPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15180475

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.349

Water Solubility, LogSw

-3.62

Polar Surface Area

72.220

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.15

Y032-4642 in Drug Discovery

Included in Screening Libraries

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

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y032-4642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4642?
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What is the minimum amount of Y032-4642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4642
  • 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 Y032-4642 available by request