D626-0340 Screening compound: 4-methyl-N-[(oxolan-2-yl)methyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide

D626-0340 Screening compound: 4-methyl-N-[(oxolan-2-yl)methyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
D626-0340 Screening compound: 4-methyl-N-[(oxolan-2-yl)methyl]-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D626-0340
4-methyl-N-[(oxolan-2-yl)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

D626-0340

Molecular Formula

C17H20N2O3S (C17 H20 N2 O3 S)

Compound Name

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

IUPAC name

4-methyl-N-[(oxolan-2-yl)methyl]-2-(phenoxymethyl)-13-thiazole-5-carboxamide

SMILES

Cc1c(C(NCC2OCCC2)=O)sc(COc2ccccc2)n1

InChI

InChI=1S/C17H20N2O3S/c1-12-16(17(20)18-10-14-8-5-9-21-14)23-15(19-12)11-22-13-6-3-2-4-7-13/h2-4,6-7,14H,5,8-11H2,1H3,(H,18,20)/t14-/m1/s1

InChI Key

SHMZUOBBWYNPNQ-CQSZACIVSA-N

MDL Number (MFCD)

MFCD15142512

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.460

Distribution Coefficient, logD

2.460

Water Solubility, LogSw

-2.64

Polar Surface Area

51.611

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.20

D626-0340 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 D626-0340 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D626-0340?
Check Price and Availability of D626-0340, 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 D626-0340 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D626-0340
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D626-0340
  • 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 D626-0340 available by request