Y040-9356 Screening compound: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

Y040-9356 Screening compound: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
Y040-9356 Screening compound: 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9356
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

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

Y040-9356

Molecular Formula

C22H23FN4O2S (C22 H23 FN4 O2 S)

Compound Name

4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine

IUPAC name

4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-N-[(4-methoxyphenyl)methyl]-13-thiazol-2-amine

SMILES

COc1ccc(CNc2nc(C(N(CC3)CCN3c(cc3)ccc3F)=O)cs2)cc1

InChI

InChI=1S/C22H23FN4O2S/c1-29-19-8-2-16(3-9-19)14-24-22-25-20(15-30-22)21(28)27-12-10-26(11-13-27)18-6-4-17(23)5-7-18/h2-9,15H,10-14H2,1H3,(H,24,25)

InChI Key

PKICDPITCPOWPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16626860

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.51

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.967

Distribution Coefficient, logD

3.967

Water Solubility, LogSw

-4.07

Polar Surface Area

47.972

Acid Dissociation Constant (pKa)

18.05

Base Dissociation Constant (pKb)

5.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

Y040-9356 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-9356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9356?
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What is the minimum amount of Y040-9356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9356
  • 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 Y040-9356 available by request