D361-2707 Screening compound: 4-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

D361-2707 Screening compound: 4-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
D361-2707 Screening compound: 4-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-2707
4-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

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

D361-2707

Molecular Formula

C17H19N3O3S (C17 H19 N3 O3 S)

Compound Name

4-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-3-methyl-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

4-[3-methoxy-2-(prop-2-en-1-yloxy)phenyl]-3-methyl-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

Cc1n[nH]c(N2)c1C(c(cccc1OC)c1OCC=C)SCC2=O

InChI

InChI=1S/C17H19N3O3S/c1-4-8-23-15-11(6-5-7-12(15)22-3)16-14-10(2)19-20-17(14)18-13(21)9-24-16/h4-7,16H,1,8-9H2,2-3H3,(H2,18,19,20,21)/t16-/m1/s1

InChI Key

MLGXQYZFUOFWJG-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD27581888

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.452

Distribution Coefficient, logD

2.451

Water Solubility, LogSw

-2.81

Polar Surface Area

64.254

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

-2.02

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.40

D361-2707 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

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

Chelators targeting matrix metalloproteinases library (8930 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Cancer
  • Digestive system
  • Cardiovascular
Targets:
  • Kinases
  • Proteases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D361-2707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-2707?
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What is the minimum amount of D361-2707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-2707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-2707
  • 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 D361-2707 available by request