Y040-9328 Screening compound: methyl 2-{1-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetate

Y040-9328 Screening compound: methyl 2-{1-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetate
Y040-9328 Screening compound: methyl 2-{1-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9328
methyl 2-{1-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetate

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

Y040-9328

Molecular Formula

C17H21N3O3S (C17 H21 N3 O3 S)

Compound Name

methyl 2-{1-[4-methyl-2-(1H-pyrrol-1-yl)-1,3-thiazole-5-carbonyl]piperidin-4-yl}acetate

IUPAC name

methyl 2-{1-[4-methyl-2-(1H-pyrrol-1-yl)-13-thiazole-5-carbonyl]piperidin-4-yl}acetate

SMILES

Cc1c(C(N2CCC(CC(OC)=O)CC2)=O)sc(-n2cccc2)n1

InChI

InChI=1S/C17H21N3O3S/c1-12-15(24-17(18-12)20-7-3-4-8-20)16(22)19-9-5-13(6-10-19)11-14(21)23-2/h3-4,7-8,13H,5-6,9-11H2,1-2H3

InChI Key

JQBWGSMRXNUVHB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18800233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

347.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.003

Distribution Coefficient, logD

2.985

Water Solubility, LogSw

-2.96

Polar Surface Area

51.849

Acid Dissociation Constant (pKa)

23.27

Base Dissociation Constant (pKb)

6.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.10

References: we are preparing a list of scientific research reports with Y040-9328 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9328?
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What is the minimum amount of Y040-9328 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9328
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9328
  • 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 Y040-9328 available by request