Y031-2816 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-methoxyphenyl)propanamide

Y031-2816 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-methoxyphenyl)propanamide
Y031-2816 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-methoxyphenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-2816
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-3-(4-methoxyphenyl)propanamide

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

Y031-2816

Molecular Formula

C21H23N3O4S (C21 H23 N3 O4 S)

Compound Name

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

IUPAC name

N-{5-[(34-dimethoxyphenyl)methyl]-134-thiadiazol-2-yl}-3-(4-methoxyphenyl)propanamide

SMILES

COc1ccc(CCC(Nc2nnc(Cc(cc3)cc(OC)c3OC)s2)=O)cc1

InChI

InChI=1S/C21H23N3O4S/c1-26-16-8-4-14(5-9-16)7-11-19(25)22-21-24-23-20(29-21)13-15-6-10-17(27-2)18(12-15)28-3/h4-6,8-10,12H,7,11,13H2,1-3H3,(H,22,24,25)

InChI Key

FHBNPJBHGRXBOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07134954

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.614

Distribution Coefficient, logD

3.562

Water Solubility, LogSw

-3.90

Polar Surface Area

69.689

Acid Dissociation Constant (pKa)

8.29

Base Dissociation Constant (pKb)

-3.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

Y031-2816 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with Y031-2816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-2816?
Check Price and Availability of Y031-2816, 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 Y031-2816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-2816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-2816
  • 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 Y031-2816 available by request