Y031-6439 Screening compound: N4-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-diethylpiperidine-1,4-dicarboxamide

Y031-6439 Screening compound: N4-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-diethylpiperidine-1,4-dicarboxamide
Y031-6439 Screening compound: N4-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-diethylpiperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6439
N4-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-diethylpiperidine-1,4-dicarboxamide

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

Y031-6439

Molecular Formula

C16H27N5O3S (C16 H27 N5 O3 S)

Compound Name

N4-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-diethylpiperidine-1,4-dicarboxamide

IUPAC name

N4-[5-(ethoxymethyl)-134-thiadiazol-2-yl]-N1N1-diethylpiperidine-14-dicarboxamide

SMILES

CCN(CC)C(N(CC1)CCC1C(Nc1nnc(COCC)s1)=O)=O

InChI

InChI=1S/C16H27N5O3S/c1-4-20(5-2)16(23)21-9-7-12(8-10-21)14(22)17-15-19-18-13(25-15)11-24-6-3/h12H,4-11H2,1-3H3,(H,17,19,22)

InChI Key

KWLKWTJTJHNHHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15180419

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

369.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.759

Distribution Coefficient, logD

1.543

Water Solubility, LogSw

-2.48

Polar Surface Area

73.166

Acid Dissociation Constant (pKa)

7.59

Base Dissociation Constant (pKb)

2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

Y031-6439 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-6439 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6439?
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What is the minimum amount of Y031-6439 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6439
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6439
  • 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 Y031-6439 available by request