D361-2519 Screening compound: methyl 4-[3-methyl-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoate

D361-2519 Screening compound: methyl 4-[3-methyl-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoate
D361-2519 Screening compound: methyl 4-[3-methyl-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D361-2519
methyl 4-[3-methyl-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoate

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

D361-2519

Molecular Formula

C22H21N3O3S (C22 H21 N3 O3 S)

Compound Name

methyl 4-[3-methyl-1-(2-methylphenyl)-7-oxo-1H,4H,6H,7H,8H-pyrazolo[3,4-e][1,4]thiazepin-4-yl]benzoate

IUPAC name

methyl 4-[3-methyl-1-(2-methylphenyl)-7-oxo-1H4H6H7H8H-pyrazolo[34-e][14]thiazepin-4-yl]benzoate

SMILES

Cc(c(C(c(cc1)ccc1C(OC)=O)SC1)c2NC1=O)nn2-c1c(C)cccc1

InChI

InChI=1S/C22H21N3O3S/c1-13-6-4-5-7-17(13)25-21-19(14(2)24-25)20(29-12-18(26)23-21)15-8-10-16(11-9-15)22(27)28-3/h4-11,20H,12H2,1-3H3,(H,23,26)/t20-/m1/s1

InChI Key

DOPXDLYKTRTDCX-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD14825042

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.49

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.222

Distribution Coefficient, logD

4.221

Water Solubility, LogSw

-4.30

Polar Surface Area

60.295

Acid Dissociation Constant (pKa)

10.70

Base Dissociation Constant (pKb)

-3.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

D361-2519 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral Library (67538 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
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D361-2519 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D361-2519?
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What is the minimum amount of D361-2519 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D361-2519
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D361-2519
  • 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 D361-2519 available by request