Y040-4695 Screening compound: 2-(3,4-dimethoxyphenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,3-thiazole-4-carboxamide

Y040-4695 Screening compound: 2-(3,4-dimethoxyphenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,3-thiazole-4-carboxamide
Y040-4695 Screening compound: 2-(3,4-dimethoxyphenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,3-thiazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-4695
2-(3,4-dimethoxyphenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,3-thiazole-4-carboxamide

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

Y040-4695

Molecular Formula

C24H25N3O3S (C24 H25 N3 O3 S)

Compound Name

2-(3,4-dimethoxyphenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,3-thiazole-4-carboxamide

IUPAC name

2-(34-dimethoxyphenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-13-thiazole-4-carboxamide

SMILES

CC(Cc1c[nH]c2c1cccc2)NC(c1c(C)sc(-c(cc2)cc(OC)c2OC)n1)=O

InChI

InChI=1S/C24H25N3O3S/c1-14(11-17-13-25-19-8-6-5-7-18(17)19)26-23(28)22-15(2)31-24(27-22)16-9-10-20(29-3)21(12-16)30-4/h5-10,12-14,25H,11H2,1-4H3,(H,26,28)/t14-/m0/s1

InChI Key

RUJIUPPNSBPDJO-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD10041988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.520

Distribution Coefficient, logD

4.520

Water Solubility, LogSw

-4.33

Polar Surface Area

59.729

Acid Dissociation Constant (pKa)

14.02

Base Dissociation Constant (pKb)

-0.74

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

Y040-4695 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Indole Derivatives (10091 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
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with Y040-4695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-4695?
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What is the minimum amount of Y040-4695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-4695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-4695
  • 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 Y040-4695 available by request