Y031-6463 Screening compound: 3-ethoxy-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]propanamide

Y031-6463 Screening compound: 3-ethoxy-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]propanamide
Y031-6463 Screening compound: 3-ethoxy-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-6463
3-ethoxy-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]propanamide

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

Y031-6463

Molecular Formula

C12H21N3O2S (C12 H21 N3 O2 S)

Compound Name

3-ethoxy-N-[5-(pentan-3-yl)-1,3,4-thiadiazol-2-yl]propanamide

IUPAC name

3-ethoxy-N-[5-(pentan-3-yl)-134-thiadiazol-2-yl]propanamide

SMILES

CCC(CC)c1nnc(NC(CCOCC)=O)s1

InChI

InChI=1S/C12H21N3O2S/c1-4-9(5-2)11-14-15-12(18-11)13-10(16)7-8-17-6-3/h9H,4-8H2,1-3H3,(H,13,15,16)

InChI Key

HCPQLQWBBLGLGL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06154905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.794

Distribution Coefficient, logD

2.740

Water Solubility, LogSw

-3.01

Polar Surface Area

54.910

Acid Dissociation Constant (pKa)

8.28

Base Dissociation Constant (pKb)

-2.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

75.00

Y031-6463 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y031-6463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-6463?
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What is the minimum amount of Y031-6463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-6463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-6463
  • 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 Y031-6463 available by request