Z601-0945 Screening compound: N-ethyl-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide

Z601-0945 Screening compound: N-ethyl-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide
Z601-0945 Screening compound: N-ethyl-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Z601-0945
N-ethyl-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide

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

Z601-0945

Molecular Formula

C13H16N2O2S (C13 H16 N2 O2 S)

Compound Name

N-ethyl-2-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepin-5-yl)acetamide

IUPAC name

N-ethyl-2-(4-oxo-2345-tetrahydro-15-benzothiazepin-5-yl)acetamide

SMILES

CCNC(CN(c(cccc1)c1SCC1)C1=O)=O

InChI

InChI=1S/C13H16N2O2S/c1-2-14-12(16)9-15-10-5-3-4-6-11(10)18-8-7-13(15)17/h3-6H,2,7-9H2,1H3,(H,14,16)

InChI Key

ROONVZVDUGPMRU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27639239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.443

Distribution Coefficient, logD

1.443

Water Solubility, LogSw

-2.29

Polar Surface Area

40.319

Acid Dissociation Constant (pKa)

15.11

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.46

Z601-0945 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
  • Mimetics
Mechanism of action:
  • PPI modulators
  • Epigenetic
  • PPI modulators
Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic

References: we are preparing a list of scientific research reports with Z601-0945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Z601-0945?
Check Price and Availability of Z601-0945, 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 Z601-0945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Z601-0945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Z601-0945
  • 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 Z601-0945 available by request