Y031-6436 Screening compound: N3-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide

Y031-6436 Screening compound: N3-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
Y031-6436 Screening compound: N3-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6436
N3-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-dimethylpiperidine-1,3-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

Y031-6436

Molecular Formula

C14H23N5O3S (C14 H23 N5 O3 S)

Compound Name

N3-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide

IUPAC name

N3-[5-(ethoxymethyl)-134-thiadiazol-2-yl]-N1N1-dimethylpiperidine-13-dicarboxamide

SMILES

CCOCc1nnc(NC(C(CCC2)CN2C(N(C)C)=O)=O)s1

InChI

InChI=1S/C14H23N5O3S/c1-4-22-9-11-16-17-13(23-11)15-12(20)10-6-5-7-19(8-10)14(21)18(2)3/h10H,4-9H2,1-3H3,(H,15,17,20)/t10-/m0/s1

InChI Key

FQDTUMCXSBYKDV-JTQLQIEISA-N

MDL Number (MFCD)

MFCD15179067

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.851

Distribution Coefficient, logD

0.606

Water Solubility, LogSw

-2.13

Polar Surface Area

73.168

Acid Dissociation Constant (pKa)

7.52

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

71.40

Y031-6436 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 Y031-6436 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6436?
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What is the minimum amount of Y031-6436 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6436
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6436
  • 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 Y031-6436 available by request