Y031-0822 Screening compound: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzamide

Y031-0822 Screening compound: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzamide
Y031-0822 Screening compound: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0822
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzamide

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

Y031-0822

Molecular Formula

C13H13Cl2N3OS (C13 H13 Cl2 N3 OS)

Compound Name

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,5-dichlorobenzamide

IUPAC name

N-(5-butyl-134-thiadiazol-2-yl)-25-dichlorobenzamide

SMILES

CCCCc1nnc(NC(c(cc(cc2)Cl)c2Cl)=O)s1

InChI

InChI=1S/C13H13Cl2N3OS/c1-2-3-4-11-17-18-13(20-11)16-12(19)9-7-8(14)5-6-10(9)15/h5-7H,2-4H2,1H3,(H,16,18,19)

InChI Key

SDCWCFHBSQHBQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06005789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.24

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.925

Distribution Coefficient, logD

2.433

Water Solubility, LogSw

-4.94

Polar Surface Area

47.370

Acid Dissociation Constant (pKa)

4.91

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

Y031-0822 in Drug Discovery

Included in Screening Libraries

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-0822 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0822?
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What is the minimum amount of Y031-0822 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0822
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0822
  • 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 Y031-0822 available by request