8014-7044 Screening compound: {4-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperazino}(2-furyl)methanone

8014-7044 Screening compound: {4-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperazino}(2-furyl)methanone
8014-7044 Screening compound: {4-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperazino}(2-furyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-7044
{4-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperazino}(2-furyl)methanone

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

8014-7044

Molecular Formula

C20H21N3O4S (C20 H21 N3 O4 S)

Compound Name

{4-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]piperazino}(2-furyl)methanone

IUPAC name

1-[4-(25-dimethoxyphenyl)-13-thiazol-2-yl]-4-(furan-2-carbonyl)piperazine

SMILES

COc(cc1)cc(-c2csc(N(CC3)CCN3C(c3ccco3)=O)n2)c1OC

InChI

InChI=1S/C20H21N3O4S/c1-25-14-5-6-17(26-2)15(12-14)16-13-28-20(21-16)23-9-7-22(8-10-23)19(24)18-4-3-11-27-18/h3-6,11-13H,7-10H2,1-2H3

InChI Key

BIQKVAWFGIFLFR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03819528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.492

Distribution Coefficient, logD

3.491

Water Solubility, LogSw

-3.76

Polar Surface Area

53.448

Acid Dissociation Constant (pKa)

23.58

Base Dissociation Constant (pKb)

5.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

8014-7044 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8014-7044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-7044?
Check Price and Availability of 8014-7044, 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 8014-7044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-7044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-7044
  • 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 8014-7044 available by request