D041-0038 Screening compound: methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate

D041-0038 Screening compound: methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate
D041-0038 Screening compound: methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0038
methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate

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

D041-0038

Molecular Formula

C20H26N2O3S (C20 H26 N2 O3 S)

Compound Name

methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-1,3-thiazol-5-yl]propanoate

IUPAC name

methyl 3-[2-(cyclohexylamino)-4-(4-methoxyphenyl)-13-thiazol-5-yl]propanoate

SMILES

COC(CCc1c(-c(cc2)ccc2OC)nc(NC2CCCCC2)s1)=O

InChI

InChI=1S/C20H26N2O3S/c1-24-16-10-8-14(9-11-16)19-17(12-13-18(23)25-2)26-20(22-19)21-15-6-4-3-5-7-15/h8-11,15H,3-7,12-13H2,1-2H3,(H,21,22)

InChI Key

FLYURFLDYAXJMJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03948024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

374.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.253

Distribution Coefficient, logD

5.253

Water Solubility, LogSw

-4.95

Polar Surface Area

48.866

Acid Dissociation Constant (pKa)

20.14

Base Dissociation Constant (pKb)

2.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

D041-0038 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

SmartTM Library (51161 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D041-0038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0038?
Check Price and Availability of D041-0038, 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 D041-0038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0038
  • 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 D041-0038 available by request