Y031-3235 Screening compound: N-{5-[(benzenesulfonyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methoxy-4-(methylsulfanyl)benzamide

Y031-3235 Screening compound: N-{5-[(benzenesulfonyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methoxy-4-(methylsulfanyl)benzamide
Y031-3235 Screening compound: N-{5-[(benzenesulfonyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methoxy-4-(methylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3235
N-{5-[(benzenesulfonyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methoxy-4-(methylsulfanyl)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

Y031-3235

Molecular Formula

C18H17N3O4S3 (C18 H17 N3 O4 S3)

Compound Name

N-{5-[(benzenesulfonyl)methyl]-1,3,4-thiadiazol-2-yl}-2-methoxy-4-(methylsulfanyl)benzamide

IUPAC name

N-{5-[(benzenesulfonyl)methyl]-134-thiadiazol-2-yl}-2-methoxy-4-(methylsulfanyl)benzamide

SMILES

COc(cc(cc1)SC)c1C(Nc1nnc(CS(c2ccccc2)(=O)=O)s1)=O

InChI

InChI=1S/C18H17N3O4S3/c1-25-15-10-12(26-2)8-9-14(15)17(22)19-18-21-20-16(27-18)11-28(23,24)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H,19,21,22)

InChI Key

HDUYDYQYVBVNHV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07151574

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.267

Distribution Coefficient, logD

1.443

Water Solubility, LogSw

-3.76

Polar Surface Area

83.765

Acid Dissociation Constant (pKa)

5.58

Base Dissociation Constant (pKb)

-4.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

Y031-3235 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with Y031-3235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3235?
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What is the minimum amount of Y031-3235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3235
  • 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 Y031-3235 available by request