D041-0022 Screening compound: 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid

D041-0022 Screening compound: 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid
D041-0022 Screening compound: 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0022
3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid

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

D041-0022

Molecular Formula

C19H24N2O3S (C19 H24 N2 O3 S)

Compound Name

3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoic acid

IUPAC name

3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-13-thiazol-5-yl]propanoic acid

SMILES

COc(cc1)ccc1-c1c(CCC(O)=O)sc(NC2CCCCC2)n1

InChI

InChI=1S/C19H24N2O3S/c1-24-15-9-7-13(8-10-15)18-16(11-12-17(22)23)25-19(21-18)20-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,20,21)(H,22,23)

InChI Key

JDIWPNRTWVMNKN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02710007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.691

Distribution Coefficient, logD

1.865

Water Solubility, LogSw

-4.21

Polar Surface Area

56.671

Acid Dissociation Constant (pKa)

4.57

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

D041-0022 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Epigenetics Focused Set (26518 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
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 D041-0022 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0022?
Check Price and Availability of D041-0022, 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 D041-0022 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0022
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0022
  • 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 D041-0022 available by request