Y032-4637 Screening compound: N,N-diethyl-N-{4-[(3-methylpiperidino)sulfonyl]phenyl}tetrahydro-1,4(2H)-pyridinedicarboxamide

Y032-4637 Screening compound: N,N-diethyl-N-{4-[(3-methylpiperidino)sulfonyl]phenyl}tetrahydro-1,4(2H)-pyridinedicarboxamide
Y032-4637 Screening compound: N,N-diethyl-N-{4-[(3-methylpiperidino)sulfonyl]phenyl}tetrahydro-1,4(2H)-pyridinedicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y032-4637
N,N-diethyl-N-{4-[(3-methylpiperidino)sulfonyl]phenyl}tetrahydro-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

Y032-4637

Molecular Formula

C23H36N4O4S (C23 H36 N4 O4 S)

Compound Name

N,N-diethyl-N-{4-[(3-methylpiperidino)sulfonyl]phenyl}tetrahydro-1,4(2H)-pyridinedicarboxamide

IUPAC name

N1N1-diethyl-N4-{4-[(3-methylpiperidin-1-yl)sulfonyl]phenyl}piperidine-14-dicarboxamide

SMILES

CCN(CC)C(N(CC1)CCC1C(Nc(cc1)ccc1S(N1CC(C)CCC1)(=O)=O)=O)=O

InChI

InChI=1S/C23H36N4O4S/c1-4-25(5-2)23(29)26-15-12-19(13-16-26)22(28)24-20-8-10-21(11-9-20)32(30,31)27-14-6-7-18(3)17-27/h8-11,18-19H,4-7,12-17H2,1-3H3,(H,24,28)/t18-/m0/s1

InChI Key

VQTUFTYTCHBUJX-SFHVURJKSA-N

MDL Number (MFCD)

MFCD15180455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.63

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.854

Distribution Coefficient, logD

2.852

Water Solubility, LogSw

-3.40

Polar Surface Area

72.712

Acid Dissociation Constant (pKa)

9.63

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

65.22

Y032-4637 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 Y032-4637 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y032-4637?
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What is the minimum amount of Y032-4637 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y032-4637
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y032-4637
  • 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 Y032-4637 available by request