D626-0370 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

D626-0370 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
D626-0370 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D626-0370
N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-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

D626-0370

Molecular Formula

C20H24N2O2S (C20 H24 N2 O2 S)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-4-methyl-2-(phenoxymethyl)-13-thiazole-5-carboxamide

SMILES

Cc1c(C(NCCC2=CCCCC2)=O)sc(COc2ccccc2)n1

InChI

InChI=1S/C20H24N2O2S/c1-15-19(20(23)21-13-12-16-8-4-2-5-9-16)25-18(22-15)14-24-17-10-6-3-7-11-17/h3,6-8,10-11H,2,4-5,9,12-14H2,1H3,(H,21,23)

InChI Key

FBCPYGAHUIVRJF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15142518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.214

Distribution Coefficient, logD

4.214

Water Solubility, LogSw

-4.15

Polar Surface Area

42.991

Acid Dissociation Constant (pKa)

13.62

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

D626-0370 in Drug Discovery

Included in Screening Libraries

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

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D626-0370 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D626-0370?
Check Price and Availability of D626-0370, 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 D626-0370 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D626-0370
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D626-0370
  • 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 D626-0370 available by request