Y031-0825 Screening compound: 2,6-dichloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide

Y031-0825 Screening compound: 2,6-dichloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide
Y031-0825 Screening compound: 2,6-dichloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0825
2,6-dichloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide

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

Y031-0825

Molecular Formula

C13H13Cl2N3O2S (C13 H13 Cl2 N3 O2 S)

Compound Name

2,6-dichloro-N-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

26-dichloro-N-[5-(2-ethoxyethyl)-134-thiadiazol-2-yl]benzamide

SMILES

CCOCCc1nnc(NC(c(c(Cl)ccc2)c2Cl)=O)s1

InChI

InChI=1S/C13H13Cl2N3O2S/c1-2-20-7-6-10-17-18-13(21-10)16-12(19)11-8(14)4-3-5-9(11)15/h3-5H,2,6-7H2,1H3,(H,16,18,19)

InChI Key

CUTCBAIBYAOOOX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06153127

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

346.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.574

Distribution Coefficient, logD

1.042

Water Solubility, LogSw

-4.28

Polar Surface Area

55.347

Acid Dissociation Constant (pKa)

4.87

Base Dissociation Constant (pKb)

-3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

Y031-0825 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with Y031-0825 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0825?
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What is the minimum amount of Y031-0825 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0825
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0825
  • 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 Y031-0825 available by request