D361-1964 Screening compound: 4-(3-methoxy-4-propoxyphenyl)-3-methyl-1-(3-methylphenyl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

D361-1964 Screening compound: 4-(3-methoxy-4-propoxyphenyl)-3-methyl-1-(3-methylphenyl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one
D361-1964 Screening compound: 4-(3-methoxy-4-propoxyphenyl)-3-methyl-1-(3-methylphenyl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-1964
4-(3-methoxy-4-propoxyphenyl)-3-methyl-1-(3-methylphenyl)-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

D361-1964

Molecular Formula

C24H27N3O3S (C24 H27 N3 O3 S)

Compound Name

4-(3-methoxy-4-propoxyphenyl)-3-methyl-1-(3-methylphenyl)-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-7-one

IUPAC name

4-(3-methoxy-4-propoxyphenyl)-3-methyl-1-(3-methylphenyl)-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-7-one

SMILES

CCCOc(ccc(C(c1c(N2)n(-c3cc(C)ccc3)nc1C)SCC2=O)c1)c1OC

InChI

InChI=1S/C24H27N3O3S/c1-5-11-30-19-10-9-17(13-20(19)29-4)23-22-16(3)26-27(18-8-6-7-15(2)12-18)24(22)25-21(28)14-31-23/h6-10,12-13,23H,5,11,14H2,1-4H3,(H,25,28)/t23-/m1/s1

InChI Key

FBMLFDSZOCQWNU-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD14825019

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.767

Distribution Coefficient, logD

4.767

Water Solubility, LogSw

-4.59

Polar Surface Area

54.557

Acid Dissociation Constant (pKa)

11.95

Base Dissociation Constant (pKb)

-2.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

D361-1964 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with D361-1964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-1964?
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What is the minimum amount of D361-1964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-1964
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-1964
  • 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 D361-1964 available by request