Y031-3111 Screening compound: 2,4-dimethoxy-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide

Y031-3111 Screening compound: 2,4-dimethoxy-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
Y031-3111 Screening compound: 2,4-dimethoxy-N-[5-(3-phenylpropyl)-1,3,4-thiadiazol-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-3111
2,4-dimethoxy-N-[5-(3-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

Y031-3111

Molecular Formula

C20H21N3O3S (C20 H21 N3 O3 S)

Compound Name

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

IUPAC name

24-dimethoxy-N-[5-(3-phenylpropyl)-134-thiadiazol-2-yl]benzamide

SMILES

COc(cc1)cc(OC)c1C(Nc1nnc(CCCc2ccccc2)s1)=O

InChI

InChI=1S/C20H21N3O3S/c1-25-15-11-12-16(17(13-15)26-2)19(24)21-20-23-22-18(27-20)10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11-13H,6,9-10H2,1-2H3,(H,21,23,24)

InChI Key

GDVMSYQTAYKJGH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07150727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.872

Distribution Coefficient, logD

3.231

Water Solubility, LogSw

-4.67

Polar Surface Area

62.272

Acid Dissociation Constant (pKa)

5.77

Base Dissociation Constant (pKb)

-3.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

Y031-3111 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antifungal Library (16415 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y031-3111 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-3111?
Check Price and Availability of Y031-3111, 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 Y031-3111 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-3111
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-3111
  • 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 Y031-3111 available by request