Y031-7399 Screening compound: N3-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide

Y031-7399 Screening compound: N3-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide
Y031-7399 Screening compound: N3-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]-N1,N1-dimethylpiperidine-1,3-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-7399
N3-[5-(2-ethoxyethyl)-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

Y031-7399

Molecular Formula

C15H25N5O3S (C15 H25 N5 O3 S)

Compound Name

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

IUPAC name

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

SMILES

CCOCCc1nnc(NC(C(CCC2)CN2C(N(C)C)=O)=O)s1

InChI

InChI=1S/C15H25N5O3S/c1-4-23-9-7-12-17-18-14(24-12)16-13(21)11-6-5-8-20(10-11)15(22)19(2)3/h11H,4-10H2,1-3H3,(H,16,18,21)/t11-/m0/s1

InChI Key

XKWYTGXDISGZPQ-NSHDSACASA-N

MDL Number (MFCD)

MFCD15179084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.218

Distribution Coefficient, logD

0.981

Water Solubility, LogSw

-2.21

Polar Surface Area

73.087

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

2.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.33

Y031-7399 in Drug Discovery

Included in Screening Libraries

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

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 Y031-7399 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-7399?
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What is the minimum amount of Y031-7399 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-7399
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-7399
  • 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 Y031-7399 available by request