Y031-3082 Screening compound: N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}methanesulfonamide

Y031-3082 Screening compound: N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}methanesulfonamide
Y031-3082 Screening compound: N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}methanesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3082
N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}methanesulfonamide

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

Y031-3082

Molecular Formula

C11H13N3O3S2 (C11 H13 N3 O3 S2)

Compound Name

N-{5-[(2-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}methanesulfonamide

IUPAC name

N-{5-[(2-methoxyphenyl)methyl]-134-thiadiazol-2-yl}methanesulfonamide

SMILES

COc1c(Cc2nnc(NS(C)(=O)=O)s2)cccc1

InChI

InChI=1S/C11H13N3O3S2/c1-17-9-6-4-3-5-8(9)7-10-12-13-11(18-10)14-19(2,15)16/h3-6H,7H2,1-2H3,(H,13,14)

InChI Key

YDXAUNFHLUXTIM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07150531

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.835

Distribution Coefficient, logD

0.050

Water Solubility, LogSw

-2.27

Polar Surface Area

73.505

Acid Dissociation Constant (pKa)

5.62

Base Dissociation Constant (pKb)

-1.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y031-3082 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y031-3082 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3082?
Check Price and Availability of Y031-3082, 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 Y031-3082 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3082
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3082
  • 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 Y031-3082 available by request