D361-1609 Screening compound: 2-{4-[1-(3-chlorophenyl)-3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-ethoxyphenoxy}acetamide

D361-1609 Screening compound: 2-{4-[1-(3-chlorophenyl)-3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-ethoxyphenoxy}acetamide
D361-1609 Screening compound: 2-{4-[1-(3-chlorophenyl)-3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-ethoxyphenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-1609
2-{4-[1-(3-chlorophenyl)-3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-ethoxyphenoxy}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

D361-1609

Molecular Formula

C23H23ClN4O4S (C23 H23 ClN4 O4 S)

Compound Name

2-{4-[1-(3-chlorophenyl)-3-methyl-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]-2-ethoxyphenoxy}acetamide

IUPAC name

2-{4-[1-(3-chlorophenyl)-3-methyl-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-4-yl]-2-ethoxyphenoxy}acetamide

SMILES

CCOc(cc(C(c1c(N2)n(-c3cccc(Cl)c3)nc1C)SCC2=O)cc1)c1OCC(N)=O

InChI

InChI=1S/C23H23ClN4O4S/c1-3-31-18-9-14(7-8-17(18)32-11-19(25)29)22-21-13(2)27-28(16-6-4-5-15(24)10-16)23(21)26-20(30)12-33-22/h4-10,22H,3,11-12H2,1-2H3,(H2,25,29)(H,26,30)/t22-/m1/s1

InChI Key

PZOOMHQPLCIWBK-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD14824969

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

486.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.617

Distribution Coefficient, logD

2.616

Water Solubility, LogSw

-3.54

Polar Surface Area

87.606

Acid Dissociation Constant (pKa)

10.29

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

D361-1609 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D361-1609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-1609?
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What is the minimum amount of D361-1609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-1609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-1609
  • 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 D361-1609 available by request