D361-2588 Screening compound: 2-{2-methoxy-4-[3-methyl-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide

D361-2588 Screening compound: 2-{2-methoxy-4-[3-methyl-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide
D361-2588 Screening compound: 2-{2-methoxy-4-[3-methyl-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-2588
2-{2-methoxy-4-[3-methyl-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]phenoxy}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

D361-2588

Molecular Formula

C23H24N4O4S (C23 H24 N4 O4 S)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(C(c(cc1)cc(OC)c1OCC(N)=O)SC1)c2NC1=O)nn2-c1c(C)cccc1

InChI

InChI=1S/C23H24N4O4S/c1-13-6-4-5-7-16(13)27-23-21(14(2)26-27)22(32-12-20(29)25-23)15-8-9-17(18(10-15)30-3)31-11-19(24)28/h4-10,22H,11-12H2,1-3H3,(H2,24,28)(H,25,29)/t22-/m1/s1

InChI Key

WKMZRSBJXUKGDD-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD27581885

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.367

Distribution Coefficient, logD

2.366

Water Solubility, LogSw

-2.84

Polar Surface Area

87.725

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

D361-2588 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 D361-2588 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-2588?
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What is the minimum amount of D361-2588 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-2588
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-2588
  • 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 D361-2588 available by request