8019-0633 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-N-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}phenyl)propanamide

8019-0633 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-N-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}phenyl)propanamide
8019-0633 Screening compound: 3-(2H-1,3-benzodioxol-5-yl)-N-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}phenyl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-0633
3-(2H-1,3-benzodioxol-5-yl)-N-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}phenyl)propanamide

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

8019-0633

Molecular Formula

C24H25N3O4S (C24 H25 N3 O4 S)

Compound Name

3-(2H-1,3-benzodioxol-5-yl)-N-(4-{4-[(morpholin-4-yl)methyl]-1,3-thiazol-2-yl}phenyl)propanamide

IUPAC name

3-(2H-13-benzodioxol-5-yl)-N-(4-{4-[(morpholin-4-yl)methyl]-13-thiazol-2-yl}phenyl)propanamide

SMILES

O=C(CCc(cc1)cc2c1OCO2)Nc(cc1)ccc1-c1nc(CN2CCOCC2)cs1

InChI

InChI=1S/C24H25N3O4S/c28-23(8-2-17-1-7-21-22(13-17)31-16-30-21)25-19-5-3-18(4-6-19)24-26-20(15-32-24)14-27-9-11-29-12-10-27/h1,3-7,13,15H,2,8-12,14,16H2,(H,25,28)

InChI Key

DNFWJBHPNDESGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.704

Distribution Coefficient, logD

3.703

Water Solubility, LogSw

-4.10

Polar Surface Area

62.102

Acid Dissociation Constant (pKa)

12.55

Base Dissociation Constant (pKb)

4.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8019-0633 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8019-0633 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-0633?
Check Price and Availability of 8019-0633, 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 8019-0633 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-0633
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-0633
  • 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 8019-0633 available by request