K784-9528 Screening compound: N~1~-benzyl-3-{[(3,5-dimethylanilino)carbothioyl]amino}-N~1~-methyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

K784-9528 Screening compound: N~1~-benzyl-3-{[(3,5-dimethylanilino)carbothioyl]amino}-N~1~-methyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide
K784-9528 Screening compound: N~1~-benzyl-3-{[(3,5-dimethylanilino)carbothioyl]amino}-N~1~-methyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K784-9528
N~1~-benzyl-3-{[(3,5-dimethylanilino)carbothioyl]amino}-N~1~-methyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

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

K784-9528

Molecular Formula

C35H37N5O2S (C35 H37 N5 O2 S)

Compound Name

N~1~-benzyl-3-{[(3,5-dimethylanilino)carbothioyl]amino}-N~1~-methyl-4-(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)benzamide

IUPAC name

N-benzyl-3-{[(35-dimethylphenyl)carbamothioyl]amino}-N-methyl-4-{6-oxo-711-diazatricyclo[7.3.1.0^{27}]trideca-24-dien-11-yl}benzamide

SMILES

Cc1cc(NC(Nc(cc(cc2)C(N(C)Cc3ccccc3)=O)c2N(CC(C2)CN34)CC2C4=CC=CC3=O)=S)cc(C)c1

InChI

InChI=1S/C35H37N5O2S/c1-23-14-24(2)16-29(15-23)36-35(43)37-30-18-27(34(42)38(3)19-25-8-5-4-6-9-25)12-13-32(30)39-20-26-17-28(22-39)31-10-7-11-33(41)40(31)21-26/h4-16,18,26,28H,17,19-22H2,1-3H3,(H2,36,37,43)

InChI Key

NVOWRSWINNOGBS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15099386

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

591.78

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.563

Distribution Coefficient, logD

6.563

Water Solubility, LogSw

-5.61

Polar Surface Area

53.364

Acid Dissociation Constant (pKa)

13.33

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

28.60

K784-9528 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K784-9528 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K784-9528?
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What is the minimum amount of K784-9528 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K784-9528
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K784-9528
  • 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 K784-9528 available by request