Y042-0817 Screening compound: [4-(2-methoxyphenyl)piperazino][4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl]methanone

Y042-0817 Screening compound: [4-(2-methoxyphenyl)piperazino][4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl]methanone
Y042-0817 Screening compound: [4-(2-methoxyphenyl)piperazino][4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl]methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-0817
[4-(2-methoxyphenyl)piperazino][4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl]methanone

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

Y042-0817

Molecular Formula

C21H22N4O3S (C21 H22 N4 O3 S)

Compound Name

[4-(2-methoxyphenyl)piperazino][4-(4-methoxyphenyl)-1,2,3-thiadiazol-5-yl]methanone

IUPAC name

1-(2-methoxyphenyl)-4-[4-(4-methoxyphenyl)-123-thiadiazole-5-carbonyl]piperazine

SMILES

COc(cc1)ccc1-c1c(C(N(CC2)CCN2c(cccc2)c2OC)=O)snn1

InChI

InChI=1S/C21H22N4O3S/c1-27-16-9-7-15(8-10-16)19-20(29-23-22-19)21(26)25-13-11-24(12-14-25)17-5-3-4-6-18(17)28-2/h3-10H,11-14H2,1-2H3

InChI Key

NCDQYNWPPBOKFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13760374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

410.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.352

Distribution Coefficient, logD

3.351

Water Solubility, LogSw

-3.61

Polar Surface Area

57.386

Acid Dissociation Constant (pKa)

27.59

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

Y042-0817 in Drug Discovery

Included in Screening Libraries

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y042-0817 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-0817?
Check Price and Availability of Y042-0817, 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 Y042-0817 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-0817
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-0817
  • 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 Y042-0817 available by request