M033-0697 Screening compound: 1-[4-(2-cyclopropyl-1,3-thiazol-4-yl)benzoyl]azepane

M033-0697 Screening compound: 1-[4-(2-cyclopropyl-1,3-thiazol-4-yl)benzoyl]azepane
M033-0697 Screening compound: 1-[4-(2-cyclopropyl-1,3-thiazol-4-yl)benzoyl]azepane alternative view

Chemical Structure Depiction of ChemDiv screening compound M033-0697
1-[4-(2-cyclopropyl-1,3-thiazol-4-yl)benzoyl]azepane

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

M033-0697

Molecular Formula

C19H22N2OS (C19 H22 N2 OS)

Compound Name

1-[4-(2-cyclopropyl-1,3-thiazol-4-yl)benzoyl]azepane

IUPAC name

1-[4-(2-cyclopropyl-13-thiazol-4-yl)benzoyl]azepane

SMILES

O=C(c(cc1)ccc1-c1csc(C2CC2)n1)N1CCCCCC1

InChI

InChI=1S/C19H22N2OS/c22-19(21-11-3-1-2-4-12-21)16-9-5-14(6-10-16)17-13-23-18(20-17)15-7-8-15/h5-6,9-10,13,15H,1-4,7-8,11-12H2

InChI Key

MVIKDRHCDHSKRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27493917

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.46

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.388

Distribution Coefficient, logD

4.388

Water Solubility, LogSw

-4.23

Polar Surface Area

27.203

Acid Dissociation Constant (pKa)

23.73

Base Dissociation Constant (pKb)

2.94

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.40

M033-0697 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Epigenetic

References: we are preparing a list of scientific research reports with M033-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound M033-0697?
Check Price and Availability of M033-0697, 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 M033-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for M033-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for M033-0697
  • 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 M033-0697 available by request