Y031-0485 Screening compound: 2,6-dichloro-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

Y031-0485 Screening compound: 2,6-dichloro-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide
Y031-0485 Screening compound: 2,6-dichloro-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0485
2,6-dichloro-N-{5-[(2-methoxyethyl)sulfanyl]-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

Y031-0485

Molecular Formula

C12H11Cl2N3O2S2 (C12 H11 Cl2 N3 O2 S2)

Compound Name

2,6-dichloro-N-{5-[(2-methoxyethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}benzamide

IUPAC name

26-dichloro-N-{5-[(2-methoxyethyl)sulfanyl]-134-thiadiazol-2-yl}benzamide

SMILES

COCCSc1nnc(NC(c(c(Cl)ccc2)c2Cl)=O)s1

InChI

InChI=1S/C12H11Cl2N3O2S2/c1-19-5-6-20-12-17-16-11(21-12)15-10(18)9-7(13)3-2-4-8(9)14/h2-4H,5-6H2,1H3,(H,15,16,18)

InChI Key

NMXFHXVHMZVALS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06152227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.28

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.607

Distribution Coefficient, logD

2.403

Water Solubility, LogSw

-4.24

Polar Surface Area

54.578

Acid Dissociation Constant (pKa)

6.22

Base Dissociation Constant (pKb)

-4.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y031-0485 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-0485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0485?
Check Price and Availability of Y031-0485, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y031-0485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0485
  • 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 Y031-0485 available by request