Y031-3234 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

Y031-3234 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
Y031-3234 Screening compound: 2-methoxy-4-(methylsulfanyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3234
2-methoxy-4-(methylsulfanyl)-N-[5-(2-phenylpropyl)-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

Y031-3234

Molecular Formula

C20H21N3O2S2 (C20 H21 N3 O2 S2)

Compound Name

2-methoxy-4-(methylsulfanyl)-N-[5-(2-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

IUPAC name

2-methoxy-4-(methylsulfanyl)-N-[5-(2-phenylpropyl)-134-thiadiazol-2-yl]benzamide

SMILES

CC(Cc1nnc(NC(c(ccc(SC)c2)c2OC)=O)s1)c1ccccc1

InChI

InChI=1S/C20H21N3O2S2/c1-13(14-7-5-4-6-8-14)11-18-22-23-20(27-18)21-19(24)16-10-9-15(26-3)12-17(16)25-2/h4-10,12-13H,11H2,1-3H3,(H,21,23,24)/t13-/m0/s1

InChI Key

XQMPNOXLCOOCHM-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD07151573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.453

Distribution Coefficient, logD

3.650

Water Solubility, LogSw

-5.47

Polar Surface Area

54.729

Acid Dissociation Constant (pKa)

5.60

Base Dissociation Constant (pKb)

-3.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y031-3234 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiparasite Library (23996 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y031-3234 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3234?
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What is the minimum amount of Y031-3234 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3234
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3234
  • 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 Y031-3234 available by request