Y040-9516 Screening compound: ethyl 4-[4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carbonyl]piperazine-1-carboxylate

Y040-9516 Screening compound: ethyl 4-[4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carbonyl]piperazine-1-carboxylate
Y040-9516 Screening compound: ethyl 4-[4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carbonyl]piperazine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9516
ethyl 4-[4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carbonyl]piperazine-1-carboxylate

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

Y040-9516

Molecular Formula

C17H20N4O4S (C17 H20 N4 O4 S)

Compound Name

ethyl 4-[4-(4-methoxyphenyl)-1,2,3-thiadiazole-5-carbonyl]piperazine-1-carboxylate

IUPAC name

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

SMILES

CCOC(N(CC1)CCN1C(c1c(-c(cc2)ccc2OC)nns1)=O)=O

InChI

InChI=1S/C17H20N4O4S/c1-3-25-17(23)21-10-8-20(9-11-21)16(22)15-14(18-19-26-15)12-4-6-13(24-2)7-5-12/h4-7H,3,8-11H2,1-2H3

InChI Key

RGIOSXSNSAQPSA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13759471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

376.44

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.253

Distribution Coefficient, logD

2.253

Water Solubility, LogSw

-2.41

Polar Surface Area

69.576

Acid Dissociation Constant (pKa)

28.06

Base Dissociation Constant (pKb)

-0.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.20

Y040-9516 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y040-9516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9516?
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What is the minimum amount of Y040-9516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9516
  • 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 Y040-9516 available by request